SCHEMBL15947017

SCHEMBL15947017

CSc1cc(C(C)=O)n(-c2ccc(F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
AOC3 Q16853 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.38
PPP1CA P62136 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CHRNA7 P36544 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
POLB P06746 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36

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
SCHEMBL15939016 0.88 L3MBTL1 (0.52) PTGS2MEN1KMT2AL3MBTL1ATM
SCHEMBL15939622 0.87 PTGS2 (0.46) PTGS2MEN1KMT2AL3MBTL1LMNA
SCHEMBL6173412 0.73 ALDH1A1 (0.51) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL6174582 0.71 RPA1 (0.52) KMT2AL3MBTL1LMNAMAPTRXRA
SCHEMBL9207835 0.71 PTGS2 (0.51) PTGS2MEN1KMT2AAOC3ATM
SCHEMBL27637327 0.70 PTGS2 (0.50) PTGS2MEN1KMT2AL3MBTL1LMNA
SCHEMBL22021460 0.70 PTGS2 (0.48) PTGS2MEN1KMT2AL3MBTL1LMNA
SCHEMBL6052340 0.68 MAPT (0.59) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL24885584 0.68 KMT2A (0.62) PTGS2MEN1KMT2AL3MBTL1ATM
SCHEMBL15948863 0.67 GRN (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 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 (2 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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 PTGS2 3631/4885MEN1 2114/4885KMT2A 720/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 PTGS2 3631/4885MEN1 2114/4885KMT2A 720/4885

“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.