SCHEMBL2392074

SCHEMBL2392074

CCN1CCC(N(CC)CC)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HRH3 Q9Y5N1 3/20 0.33
HSD11B1 P28845 1/20 0.33
ACKR3 P25106 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24763601 0.88 KMT2A (0.43) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL8441895 0.86 SMN1; SMN2 (0.35) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL23252489 0.84 KMT2A (0.50) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL8327967 0.83 HSD11B1 (0.41) SMN1; SMN2KMT2AKDM4EALDH1A1HRH3
SCHEMBL11891622 0.82 KMT2A (0.50) KMT2AMEN1RAB9ANOS3NOS1
SCHEMBL13456545 0.82 KDM4E (0.35) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL12104157 0.82 DRD3 (0.44) KMT2AMEN1RAB9A
SCHEMBL12464449 0.79 NOS3 (0.44) SMN1; SMN2KDM4EALDH1A1NOS3NOS1
SCHEMBL19000002 0.79 PIK3CD (0.38) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL1307796 0.79 ALOX15 (0.46) KMT2AMEN1RAB9AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2022-06-28 US disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 US disclosed
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2019-11-14 US disclosed
WO-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 WO disclosed
US-9834521-B2 Choline kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20160024024-A1 Novel Choline Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
US-8097630-B2 Pinane-substituted pyrimidinediamine derivatives derivatives and pharmaceutical compositions containing the dthe activity of the receptor protein tyrosine kinase Axl. Methods of using erivatives are disclosed as being useful in inhibiting activity of enzyme RIGEL PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US disclosed
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 1984/4885KMT2A 1063/4885MEN1 4517/4885
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases MAPKAPK2, MAPKAPK5, MAPK7 SMN1; SMN2 4332/4885KMT2A 1609/4885MEN1 4674/4885
US-20160024024-A1 Novel Choline Kinase Inhibitors CHKA, CHKB, CEPT1 SMN1; SMN2 2555/4885KMT2A 1408/4885MEN1 1547/4885
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B SMN1; SMN2 2889/4885KMT2A 2123/4885MEN1 945/4885
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE TLR7, TLR9, TLR1 SMN1; SMN2 4050/4885KMT2A 1145/4885MEN1 4487/4885
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 SMN1; SMN2 882/4885KMT2A 1137/4885MEN1 385/4885
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use TLR9, TLR7, TLR8 SMN1; SMN2 3475/4885KMT2A 833/4885MEN1 4472/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 2610/4885KMT2A 1153/4885MEN1 4690/4885
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK SMN1; SMN2 3487/4885KMT2A 3115/4885MEN1 4367/4885
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR SMN1; SMN2 4772/4885KMT2A 3524/4885MEN1 2417/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR SMN1; SMN2 4772/4885KMT2A 3524/4885MEN1 2417/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.