SCHEMBL6318640

SCHEMBL6318640

CN(C)CCNc1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
APP P05067 1/20 0.44
NCF1 P14598 1/20 0.44
NOS2 P35228 2/20 0.43
NOS1 P29475 1/20 0.43
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.40
SYK P43405 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
DRD4 P21917 1/20 0.39
ACHE P22303 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL3856688 0.88 DRD3 (0.44) HRH3APPMAPK1LMNACYP1A2
SCHEMBL5157848 0.88 APP (0.44) HRH3APPCYP2C19MAPTMAPK1
Hydrochloric Acid SCHEMBL5456304 0.86 APP (0.43) HRH3APPCYP2C19MAPTMAPK1
SCHEMBL23928190 0.81 HRH3 (0.45) HRH3NOS2NOS1CYP2C19CYP1A2
SCHEMBL10798745 0.81 TAAR1 (0.52) NOS2CYP2C19MAPTSCN9A
SCHEMBL81430 0.81 MAPT (0.67) HRH3NOS2NOS1CYP2C19MAPT
SCHEMBL3989340 0.81 PHLPP2 (0.43) HRH3APPMAPTPHLPP2MAPK1
SCHEMBL14663491 0.80 APP (0.42) HRH3APPMAPTMAPK1LMNA
SCHEMBL250769 0.80 KEAP1 (0.49) HRH3NCF1NOS2NOS1CYP2C19
SCHEMBL14596281 0.80 TSHR (0.50) HRH3APPCYP2C19MAPTMAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566100-B Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2023-10-27 CN disclosed
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2021-04-08 US disclosed
WO-2019154177-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF 恩瑞生物医药科技(上海)有限公司 2019-08-15 WO disclosed
WO-2014183300-A1 VEGFR TYROSINE KINASE INHIBITORS SUZHOU VIVOTIDE BIOTECHNOLOGIES CO., LTD. (CN) 2014-11-20 WO disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
CN-1319090-A Novel substuted indolimones, their preparation process and use as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2001-10-24 CN disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO disclosed
EP-0142777-B1 BASIC TRIPHENDIOXAZINE DYES, THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1987-12-23 EP disclosed
EP-0148390-A2 Basic triphendioxazine dyes, their manufacture and their use BAYER AG (DE) 1985-07-17 EP disclosed
EP-0142777-A2 Basic triphendioxazine dyes, their preparation and their use BAYER AG (DE) 1985-05-29 EP 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 (2 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-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF CDK9, CDK19, CDK6 HRH3 2357/4885APP 3757/4885NCF1 2666/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 HRH3 1204/4885APP 4718/4885NCF1 1677/4885

“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.