SCHEMBL11968479

SCHEMBL11968479

[Rb]c1cnc2[nH]cc([RaH])c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.38
CDK8 P49336 1/20 0.38
TNIK Q9UKE5 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 4/20 0.36
CLK1 P49759 2/20 0.36
DYRK2 Q92630 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
BRD4 O60885 1/20 0.34
KIT P10721 1/20 0.33
MAP3K11 Q16584 3/20 0.33
JAK2 O60674 2/20 0.33
MAPK8 P45983 2/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PRKCG P05129 1/20 0.33
INSR P06213 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
SCHEMBL11968454 0.77 BRD4 (0.47) AXLCDK8TNIKGSK3BDYRK1A
SCHEMBL68662 0.54 DYRK1A (0.58) AXLCDK8TNIKGSK3BDYRK1A
SCHEMBL10269012 0.54 MET (0.43) AXLGSK3BDYRK1ACLK1DYRK2
SCHEMBL1053943 0.54 JAK2 (0.58) AXLCDK8TNIKBRD4KIT
SCHEMBL17998678 0.52 PRMT5 (0.43) KITNTRK1
SCHEMBL2619224 0.48 RPS6KA5 (0.45) AXLGSK3BROCK2LIMK1ITK
SCHEMBL30574445 0.33 CDC25B (0.30)
SCHEMBL25252876 0.28
SCHEMBL6694784 0.28
SCHEMBL1760489 0.28

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039858-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF OLEMA PHARMACEUTICALS, INC. (US) 2024-02-22 WO disclosed
US-20230339943-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVES Guangdong Raynovent Biotech Co., Ltd. (CN) 2023-10-26 US disclosed
US-11725009-B2 Anti-influenza virus pyrimidine derivative Guangdong Raynovent Biotech Co., Ltd. (CN) 2023-08-15 US disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
EP-2956138-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS INC (US) 2022-06-22 EP disclosed
US-20220135558-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVE Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-05-05 US disclosed
EP-3268373-B1 TRICYCLIC DLK INHIBITORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed
WO-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed
US-11136319-B2 Anti-influenza virus pyrimidine derivative Guangdong Raynovent Biotech Co., Ltd. (CN) 2021-10-05 US disclosed
US-20210253571-A1 AZAINDOLE DERIVATIVE AND USE THEREOF AS FGFR AND C-MET INHIBITOR WUXI LIFE FOUNTAIN BIOTECH CO., LTD (CN) 2021-08-19 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009157196-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2009-12-30 WO disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 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 (9 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-11725009-B2 Anti-influenza virus pyrimidine derivative ENTPD5, NUDT15, ITPA AXL 1562/4885CDK8 631/4885TNIK 1793/4885
US-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS AXL 188/4885CDK8 441/4885TNIK 920/4885
US-20220135558-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVE ENTPD5, NUDT15, ITPA AXL 1562/4885CDK8 631/4885TNIK 1793/4885
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 AXL 711/4885CDK8 107/4885TNIK 174/4885
US-20210253571-A1 AZAINDOLE DERIVATIVE AND USE THEREOF AS FGFR AND C-MET INHIBITOR MET, FGFR1, FGFR2 AXL 31/4885CDK8 382/4885TNIK 1634/4885
US-20230339943-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVES ENTPD5, NUDT1, ITPA AXL 1528/4885CDK8 637/4885TNIK 1874/4885
US-11136319-B2 Anti-influenza virus pyrimidine derivative ENTPD5, NUDT15, ITPA AXL 1562/4885CDK8 631/4885TNIK 1793/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS AXL 135/4885CDK8 19/4885TNIK 204/4885
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 AXL 1542/4885CDK8 525/4885TNIK 212/4885

“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.