SCHEMBL844167

SCHEMBL844167

Cc1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 7/20 0.61
AKT1 P31749 4/20 0.61
LRRK2 Q5S007 1/20 0.60
ROCK2 O75116 3/20 0.52
KCNH2 Q12809 1/20 0.52
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
LMNA P02545 1/20 0.50
APEX1 P27695 1/20 0.50
PMP22 Q01453 1/20 0.50
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
BRAF P15056 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45

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
SCHEMBL15504532 1.00 AKT2 (0.61) AKT2AKT1LRRK2ROCK2KCNH2
SCHEMBL16432987 0.88 AKT2 (0.76) AKT2AKT1ROCK2PIM1PIM3
SCHEMBL15689115 0.88 AKT2 (0.76) AKT2AKT1ROCK2PIM1PIM3
SCHEMBL3717488 0.80 DHODH (0.52) AKT2AKT1LRRK2ROCK2ACVR1
SCHEMBL3740850 0.80 AKT2 (0.70) AKT2AKT1ROCK2KCNH2PIM1
SCHEMBL16131991 0.79 CCR1 (0.56) AKT2AKT1LRRK2ROCK2KCNH2
SCHEMBL13113948 0.79 ROCK2 (0.54) AKT2AKT1LRRK2ROCK2PRKD3
SCHEMBL16872766 0.79 AKT2 (0.95) AKT2AKT1ROCK2PIM1
SCHEMBL1186757 0.78 AKT2 (0.57) AKT2AKT1ROCK2ACVR1KDR
SCHEMBL104535 0.77 AKT2 (0.61) AKT2AKT1ROCK2ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO claimed
CN-1391476-A Vasopressin agonist formulation and process AMERICAN CYANAMID CO (US) 2003-01-15 CN claimed
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-20230303534-A1 PREPARATION METHOD FOR NOVEL RHO-RELATED PROTEIN KINASE INHIBITOR AND INTERMEDIATE IN PREPARATION METHOD BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
WO-2023171305-A1 UNSATURATED HYDROCARBON SCAVENGER, NOVEL COMPOUND, AND METAL-ORGANIC FRAMEWORK ENEOS株式会社 2023-09-14 WO disclosed
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-09 US disclosed
WO-2023280177-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/β-CATENIN INTERACTION 南通聚太生物科技有限公司 2023-01-12 WO disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US disclosed
US-20070161645-A1 Thiazole inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-07-12 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
WO-2007056023-A2 THIAZOLE INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 WO disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 WO disclosed
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 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 (8 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB AKT2 94/4885AKT1 36/4885LRRK2 1093/4885
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET AKT2 229/4885AKT1 226/4885LRRK2 437/4885
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 AKT2 1832/4885AKT1 1126/4885LRRK2 2924/4885
US-20230303534-A1 PREPARATION METHOD FOR NOVEL RHO-RELATED PROTEIN KINASE INHIBITOR AND INTERMEDIATE IN PREPARATION METHOD ROCK1, ROCK2, ARHGDIA AKT2 134/4885AKT1 61/4885LRRK2 565/4885
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK AKT2 492/4885AKT1 609/4885LRRK2 1305/4885
US-20070161645-A1 Thiazole inhibitors targeting resistant kinase mutations JAK2, ABL1, FLT3 AKT2 533/4885AKT1 374/4885LRRK2 414/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR AKT2 443/4885AKT1 191/4885LRRK2 327/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK AKT2 492/4885AKT1 609/4885LRRK2 1305/4885

“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.