SCHEMBL83998

SCHEMBL83998

CC(C)c1ccncc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.42
LATS1 O95835 5/20 0.36
LATS2 Q9NRM7 4/20 0.36
TGFBR1 P36897 4/20 0.36
ALOX5 P09917 1/20 0.35
NUDT1 P36639 1/20 0.33
GCGR P47871 1/20 0.33
AOC1 P19801 1/20 0.32
AOC3 Q16853 1/20 0.32

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
SCHEMBL25777526 0.84 RPS6KA3 (0.45) RPS6KA3LOXL2LATS1LATS2TGFBR1
SCHEMBL1858846 0.83 RPS6KA3 (0.44) RPS6KA3LOXL2LATS1LATS2TGFBR1
SCHEMBL14219235 0.83 RPS6KA3 (0.44) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL25947271 0.83 RPS6KA3 (0.44) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL30824555 0.83 LOXL2 (0.44) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL1854863 0.83 RPS6KA3 (0.47) RPS6KA3LOXL2LATS1LATS2TGFBR1
SCHEMBL26916789 0.83 LOXL2 (0.44) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL459016 0.83 RPS6KA3 (0.47) RPS6KA3LOXL2LATS1LATS2TGFBR1
SCHEMBL22304214 0.83 RPS6KA3 (0.44) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL9004127 0.82 RPS6KA3 (0.50) RPS6KA3LOXL2LATS1LATS2TGFBR1

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 249 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-7279493-B2 cyanoiminopiperazines which inhibit vanilloid receptor 1 function in a cell EURO-CELTIQUE S.A. 2007-10-09 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070142360-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-06-21 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070032500-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2007-02-08 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7157462-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-01-02 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 (12 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 RPS6KA3 490/4885LOXL2 3088/4885LATS1 335/4885
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists NR3C1, NR3C2, MC2R RPS6KA3 857/4885LOXL2 4524/4885LATS1 4468/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 RPS6KA3 3186/4885LOXL2 3968/4885LATS1 4199/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 RPS6KA3 3186/4885LOXL2 3968/4885LATS1 4199/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 RPS6KA3 129/4885LOXL2 3282/4885LATS1 209/4885
US-20070142360-A1 Therapeutic agents useful for treating pain OPRL1, OPRK1, ARRB1 RPS6KA3 314/4885LOXL2 3761/4885LATS1 4243/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP RPS6KA3 425/4885LOXL2 2918/4885LATS1 1165/4885
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 RPS6KA3 1954/4885LOXL2 1138/4885LATS1 441/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 RPS6KA3 2197/4885LOXL2 1513/4885LATS1 3205/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 RPS6KA3 2648/4885LOXL2 1735/4885LATS1 3870/4885
US-20070032500-A1 Therapeutic agents useful for treating pain TRPV1, OPRL1, CNR2 RPS6KA3 853/4885LOXL2 1694/4885LATS1 3137/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 RPS6KA3 544/4885LOXL2 1714/4885LATS1 1049/4885

“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.