SCHEMBL3670033

SCHEMBL3670033

c1ccn2c(NC3CCCCC3)c(-c3ccc4[nH]ncc4c3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 1.00
AURKB Q96GD4 3/20 1.00
ROCK2 O75116 3/20 1.00
GSK3B P49841 3/20 1.00
MAPK1 P28482 2/20 0.72
CDC7 O00311 2/20 0.72
DAPK3 O43293 1/20 0.72
DYRK3 O43781 1/20 0.72
PRKD3 O94806 1/20 0.72
PRKCG P05129 1/20 0.72
CDK1 P06493 1/20 0.72
FES P07332 1/20 0.72
PRKACA P17612 1/20 0.72
RPS6KB1 P23443 1/20 0.72
CDK2 P24941 1/20 0.72
AKT1 P31749 1/20 0.72
AKT2 P31751 1/20 0.72
CSNK1A1 P48729 1/20 0.72
CSNK1D P48730 1/20 0.72
CLK2 P49760 1/20 0.72

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
SCHEMBL27104679 0.92 PIM1 (0.85) PIM1AURKBROCK2GSK3BMAPK1
SCHEMBL3666497 0.88 PIM1 (1.00) PIM1AURKBROCK2GSK3BMAPK1
SCHEMBL3634019 0.84 ROCK2 (1.00) PIM1AURKBROCK2GSK3BMAPK1
SCHEMBL20889426 0.82 PIM1 (0.69) PIM1AURKBROCK2GSK3BMAPK1
SCHEMBL20889462 0.82 PIM1 (0.69) PIM1AURKBROCK2GSK3BMAPK1
SCHEMBL3668038 0.82 PIM1 (1.00) PIM1AURKBROCK2GSK3BMAPK1
SCHEMBL20889309 0.81 PIM1 (0.68) PIM1AURKBROCK2GSK3BMAPK1
SCHEMBL7975156 0.81 ADORA1 (0.81) PIM1AURKBROCK2GSK3BMAPK1
SCHEMBL27104684 0.80 PIM1 (0.87) PIM1AURKBROCK2GSK3BMAPK1
SCHEMBL2986663 0.79 ADORA1 (0.79) PIM1AURKBROCK2GSK3BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US claimed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US claimed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US claimed
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 US disclosed
WO-2019070943-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 WO disclosed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US disclosed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 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 (4 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-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 PIM1 11/4885AURKB 125/4885ROCK2 48/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 PIM1 11/4885AURKB 125/4885ROCK2 48/4885
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof SALL4, GLI2, TCF4 PIM1 2540/4885AURKB 2279/4885ROCK2 3414/4885
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF SALL4, GLI2, TCF4 PIM1 2540/4885AURKB 2279/4885ROCK2 3414/4885

“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.