SCHEMBL8434760

SCHEMBL8434760

CC(C)c1ccc2c(=O)[nH]ncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
HSD17B10 Q99714 3/20 0.51
PARP1 P09874 1/20 0.51
PRKCI P41743 1/20 0.51
PDE4B Q07343 1/20 0.51
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
METAP2 P50579 1/20 0.37
TBK1 Q9UHD2 2/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37

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
SCHEMBL12219892 0.87 ALDH1A1 (0.51) ALDH1A1TDP1HSD17B10PARP1PRKCI
SCHEMBL1008698 0.77 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10PARP1PRKCI
SCHEMBL84462 0.75 TRPA1 (0.54) ALDH1A1TDP1KDM4EMEN1F2
SCHEMBL25184048 0.74 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10PARP1PRKCI
SCHEMBL396016 0.74 METAP2 (0.56) ALDH1A1TDP1HSD17B10PARP1PRKCI
SCHEMBL29655244 0.74 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10PARP1PRKCI
SCHEMBL30375696 0.74 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10PARP1PRKCI
SCHEMBL4060395 0.74 PARP1 (0.61) ALDH1A1TDP1HSD17B10PARP1PRKCI
SCHEMBL31331121 0.74 PARP1 (0.56) ALDH1A1TDP1HSD17B10PARP1PRKCI
SCHEMBL29735151 0.74 METAP2 (0.56) ALDH1A1TDP1HSD17B10PARP1PRKCI

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-20220002266-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-01-06 US disclosed
US-8426409-B2 7-tert-Butyl-3-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-3H-quinazolin-4-one; arthritis; inhibit Btk ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
EP-0962812-A1 Aqueous dispersion of fatty acid silver salt particles, method for redispersing fatty acid silver salt particles, photothermographic light-sensitive material, and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1999-12-08 EP 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 (1 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-20220002266-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF ROCK1, ROCK2, RHOA ALDH1A1 4545/4885TDP1 1454/4885HSD17B10 2627/4885

“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.