SCHEMBL950079

SCHEMBL950079

CN(C)CC(C)(C)COc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
RPS6KA2 Q15349 5/20 0.39
RPS6KA3 P51812 3/20 0.39
RPS6KA1 Q15418 2/20 0.39
RPS6KA6 Q9UK32 2/20 0.39
SCD O00767 3/20 0.38
SCD5 Q86SK9 2/20 0.38
BUB1 O43683 4/20 0.37
KLKB1 P03952 5/20 0.36
KDR P35968 1/20 0.35

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
SCHEMBL31060778 1.00 ALDH1A1 (0.41) ALDH1A1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL950040 0.94 KLKB1 (0.36) ALDH1A1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL950481 0.93 ALDH1A1 (0.42) ALDH1A1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL949097 0.91 RPS6KA2 (0.40) ALDH1A1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL15520154 0.90 KDR (0.35) ALDH1A1SCDSCD5KDR
SCHEMBL960971 0.89 KLKB1 (0.32) ALDH1A1KLKB1KDR
SCHEMBL949993 0.89 KDR (0.43) ALDH1A1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL951282 0.89 ALDH1A1 (0.40) ALDH1A1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL986116 0.89 ALDH1A1 (0.45) ALDH1A1RPS6KA2RPS6KA3RPS6KA1RPS6KA6
SCHEMBL948537 0.88 KDR (0.40) ALDH1A1RPS6KA2RPS6KA3RPS6KA1RPS6KA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260009798-A1 METHODS AND SYSTEMS FOR TREATING DISEASE USING AN ATR/CHK1 SIGNALING PATHWAY INHIBITOR ACRIVON THERAPEUTICS INC (US) 2026-01-08 US claimed
EP-4667458-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER, COMPRISING SOS1 INHIBITOR AND ANTICANCER DRUG Kanaph Therapeutics Inc. (KR) 2025-12-24 EP claimed
US-20250275946-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER UNM RAINFOREST INNOVATIONS (US) 2025-09-04 US claimed
US-20250262214-A1 INTERMITTENT DOSING REGIMEN FOR AZENOSERTIB IN TREATING CANCER ZENO MANAGEMENT, INC. 2025-08-21 US claimed
WO-2025151786-A1 METHODS AND SYSTEMS FOR TREATING DISEASE USING AN ATR/CHEK1 SIGNALING PATHWAY INHIBITOR ACRIVON THERAPEUTICS, INC. (US) 2025-07-17 WO claimed
EP-4555325-A2 METHODS AND SYSTEMS FOR TREATING DISEASE USING AN ATR/CHK1 SIGNALING PATHWAY INHIBITOR Acrivon Therapeutics, Inc. (US) 2025-05-21 EP claimed
CN-119768688-A Methods and systems for treating diseases using inhibitors of ATR/CHK1 signaling pathway 亚克力冯治疗公司 2025-04-04 CN claimed
EP-4529926-A1 METHOD FOR TREATING CANCER BY COMBINING ALKYLATING AGENT PRODRUG AND CELL CYCLE INHIBITOR Ascentawits Pharmaceuticals, Ltd. (CN) 2025-04-02 EP claimed
US-12247019-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2025-03-11 US claimed
CN-119233822-A Methods of treating cancer using alkylating agent prodrugs and cell cycle inhibitors in combination 深圳艾欣达伟医药科技有限公司 2024-12-31 CN claimed
WO-2023076485-A1 COMBINATION THERAPIES COMPRISING WEE1 INHIBITORS AND DNA DAMAGE RESPONSE (DDR) INHIBITORS RECURIUM IP HOLDINGS, LLC (US) 2023-05-04 WO claimed
EP-4121564-A1 BIOMARKERS FOR SACITUZUMAB GOVITECAN THERAPY Immunomedics, Inc. (US) 2023-01-25 EP claimed
WO-2022258975-A1 CANCER METHODS UNIVERSITY COLLEGE LONDON (GB) 2022-12-15 WO claimed
CN-115398010-A Biomarkers for Goxatuzumab therapy 免疫医疗公司 2022-11-25 CN claimed
WO-2022169634-A9 COMBINATION THERAPY FOR THE TREATMENT OF CANCER UNM RAINFOREST INNOVATIONS (US) 2022-09-22 WO claimed
WO-2022169634-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER UNM RAINFOREST INNOVATIONS (US) 2022-08-11 WO claimed
US-20220211783-A1 GMCI AND DDRI COMBINATION THERAPY FOR TREATING CANCER TRINITY CAPITAL INC., AS AGENT 2022-07-07 US claimed
EP-3955943-A1 GMCI AND DDRI COMBINATION THERAPY FOR TREATING CANCER Candel Therapeutics, Inc. (US) 2022-02-23 EP claimed
EP-2294065-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY Vernalis (R&D) Ltd. (GB) 2011-03-16 EP claimed
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 US claimed

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-12247019-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, SMPD1, ASAH1 ALDH1A1 1260/4885RPS6KA2 1164/4885RPS6KA3 1354/4885
US-20260009798-A1 METHODS AND SYSTEMS FOR TREATING DISEASE USING AN ATR/CHK1 SIGNALING PATHWAY INHIBITOR CHEK1, CHEK2, CKS1B ALDH1A1 4850/4885RPS6KA2 218/4885RPS6KA3 352/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 ALDH1A1 1503/4885RPS6KA2 666/4885RPS6KA3 523/4885
US-20250262214-A1 INTERMITTENT DOSING REGIMEN FOR AZENOSERTIB IN TREATING CANCER ABL1, KRAS, JAK2 ALDH1A1 1948/4885RPS6KA2 1435/4885RPS6KA3 1686/4885

“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.