SCHEMBL16479224

SCHEMBL16479224

O=C1c2ccccc2C(=O)N1c1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 1/20 0.41
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CASP1 P29466 1/20 0.38
ALPL P05186 5/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NOTUM Q6P988 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
NR1H3 Q13133 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
SCHEMBL20582184 0.78 ALDH1A1 (0.38) ALDH1A1CASP1ALPLLMNAFFAR4
SCHEMBL2113726 0.76 MEN1 (0.45) MAPK1HSD17B10ALDH1A1SMN1; SMN2ALPL
SCHEMBL1396210 0.76 ALDH1A1 (0.44) ALDH1A1ALPLLMNAHTTNR1H3
SCHEMBL30645638 0.76 ALDH1A1 (0.44) ALDH1A1ALPLLMNAHTT
SCHEMBL17627048 0.76 ALDH1A1 (0.44) ALDH1A1ALPLLMNAHTT
SCHEMBL3051213 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ALPL
SCHEMBL30475298 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ALPL
SCHEMBL14858215 0.71 CCNA2 (0.42) ALDH1A1ALPL
SCHEMBL2634991 0.69 MAP2K4 (0.45) MAPK1NR1H3
SCHEMBL30316663 0.69 ALPL (0.39) HSD17B10ALDH1A1SMN1; SMN2ALPLFFAR4

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-20220160702-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. (US) 2022-05-26 US disclosed
US-11052080-B2 Kinase inhibitors and methods of use thereof THE BROAD INSTITUTE, INC. (US) 2021-07-06 US disclosed
US-20200061050-A9 KINASE INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-27 US disclosed
US-20190175584-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF BROAD INST INC (US) 2019-06-13 US disclosed
US-9096594-B2 Kinase inhibitors and methods of use thereof THE BROAD INSTITUTE, INC. (US) 2015-08-04 US disclosed
US-20140107141-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2014-04-17 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 (5 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-20200061050-A9 KINASE INHIBITORS AND METHODS OF USE THEREOF GSK3B, GSK3A, CSNK1A1 ALOX15 2952/4885MAPK1 44/4885HSD17B10 731/4885
US-11052080-B2 Kinase inhibitors and methods of use thereof GSK3B, GSK3A, CSNK1A1 ALOX15 3118/4885MAPK1 43/4885HSD17B10 551/4885
US-20140107141-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF GSK3B, GSK3A, CSNK1A1 ALOX15 2952/4885MAPK1 44/4885HSD17B10 731/4885
US-20220160702-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF GSK3B, GSK3A, CSNK1A1 ALOX15 3118/4885MAPK1 43/4885HSD17B10 551/4885
US-20190175584-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF GSK3B, GSK3A, CSNK1A1 ALOX15 2952/4885MAPK1 44/4885HSD17B10 731/4885

“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.