SCHEMBL14090701

SCHEMBL14090701

CC(C)(C)c1ncnc2c1sc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 4/20 0.59
▸ CDK5 Q00535 1/20 0.59
▸ CDK5R1 Q15078 1/20 0.59
▸ HRH4 Q9H3N8 1/20 0.51
▸ EGFR P00533 4/20 0.50
▸ HTR2C P28335 1/20 0.48
▸ PIK3CA P42336 1/20 0.47
▸ TNKS O95271 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ RXFP1 Q9HBX9 6/20 0.39
▸ TP53 P04637 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL14090789 0.78 CLK1 (0.61) LIMK1CDK5CDK5R1EGFRPIK3CA
SCHEMBL8894268 0.78 LIMK1 (0.65) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL16281240 0.78 LIMK1 (0.65) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL15746024 0.77 GPR3 (0.43) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL19162624 0.76 TNKS (0.46) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL24222727 0.75 TNKS (0.45) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL25016499 0.75 TNKS (0.45) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL7215827 0.75 LIMK1 (0.65) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL11799957 0.75 LIMK1 (1.00) LIMK1CDK5CDK5R1EGFR
SCHEMBL24473255 0.74 LIMK1 (0.59) LIMK1CDK5CDK5R1HRH4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 — — US disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 — — US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 — — US disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 — — US disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 — — US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 — — 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 (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-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK LIMK1 500/4885CDK5 317/4885CDK5R1 212/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK LIMK1 500/4885CDK5 317/4885CDK5R1 212/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK LIMK1 500/4885CDK5 317/4885CDK5R1 212/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 LIMK1 807/4885CDK5 384/4885CDK5R1 285/4885

“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.

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