SCHEMBL7939767

SCHEMBL7939767

Cc1cn2cc(C)nc2cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
ROCK1 Q13464 1/20 0.33
GRM5 P41594 3/20 0.33
HDAC1 Q13547 1/20 0.33
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
KDM5A P29375 1/20 0.32
KDM5C P41229 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32
MCHR1 Q99705 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL25417841 0.85 NOS3 (0.39) DYRK1AAPPGRM5KDM4ENPC1
SCHEMBL15655042 0.85 HDAC1 (0.32) DYRK1AAPPHDAC1NPC1RAB9A
SCHEMBL23071665 0.85 DYRK1A (0.31) DYRK1AAPP
Hydrochloric Acid SCHEMBL25419618 0.83 NOS3 (0.38) DYRK1AGRM5ALDH1A1BACE1
SCHEMBL12778119 0.82 APP (0.31) APPROCK1
SCHEMBL26768268 0.82 KDM4E (0.33) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12248520 0.82 NOS3 (0.32)
SCHEMBL10038834 0.82 NOS3 (0.32) KDM4EALDH1A1POLBMAPT
SCHEMBL20138203 0.80 EGLN2 (0.34) GRM5
SCHEMBL10069308 0.80 NOTUM (0.33) ROCK1HDAC1KDM4EALDH1A1POLB

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
WO-2023133229-A2 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed
WO-2023097007-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-06-01 WO disclosed
WO-2023092149-A1 HETEROCYCLIC SUBSTITUTED 1,3,4-THIADIAZOLE AND PYRIDAZINE COMPOUNDS AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-25 WO disclosed
WO-2023034812-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-03-09 WO disclosed
WO-2023034811-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-03-09 WO disclosed
WO-2023014943-A1 METHODS OF TREATING MIGRAINE WITH MNK INHIBITORS 4E THERAPEUTICS, INC. (US) 2023-02-09 WO disclosed
WO-2023278686-A1 SPIROCYCLIC PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE 4E THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
WO-2022006543-A1 5-[5-(PIPERIDIN-4-YL)THIENO[3,2-C]PYRAZOL-2-YL]INDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES REMIX THERAPEUTICS INC. (US) 2022-01-06 WO disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO 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 (5 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 DYRK1A 4551/4885APP 4443/4885CYP1A2 3701/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 DYRK1A 443/4885APP 3969/4885CYP1A2 264/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 DYRK1A 4541/4885APP 4474/4885CYP1A2 3511/4885
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 DYRK1A 3200/4885APP 2/4885CYP1A2 1268/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 DYRK1A 4541/4885APP 4474/4885CYP1A2 3511/4885

“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.