SCHEMBL6796490

SCHEMBL6796490

COc1ncnc(OC)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
LMNA P02545 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
ESR1 P03372 1/20 0.32
MRGPRX1 Q96LB2 3/20 0.32
LCK P06239 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
SCHEMBL12051534 0.87 PDPK1 (0.41) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL179607 0.83 PDPK1 (0.38) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL179602 0.83 LIMK1 (0.38) PDPK1HSD17B10MAPTALDH1A1SMN1; SMN2
SCHEMBL16399428 0.83 PDPK1 (0.38) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL3921763 0.83 ALDH1A1 (0.39) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL23717803 0.83 PDPK1 (0.38) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL25466893 0.79 PDPK1 (0.36) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL23341813 0.79 PDPK1 (0.36) PDPK1HSD17B10MAPTALDH1A1MEN1
SCHEMBL12261899 0.79 YTHDC1 (0.39) PDPK1HSD17B10MAPTALDH1A1HPGD
SCHEMBL23830360 0.79 HSD17B10 (0.45) PDPK1HSD17B10MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
US-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-06-29 US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 US disclosed
US-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-06-29 US disclosed
US-20210115049-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2021-04-22 US disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 US disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
US-20040116480-A1 Oxime ether compound and agricultural or horticultural bactericide NIPPON SODA CO., LTD. (JP) 2004-06-17 US disclosed
EP-1362850-A1 OXIME ETHER COMPOUND AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE NIPPON SODA CO., LTD. (JP) 2003-11-19 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 (7 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB PDPK1 4179/4885HSD17B10 406/4885MAPT 2667/4885
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 PDPK1 2108/4885HSD17B10 4263/4885MAPT 3331/4885
US-20210115049-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 PDPK1 2108/4885HSD17B10 4263/4885MAPT 3331/4885
US-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE VIP, CYP11B2, CYP11B1 PDPK1 1331/4885HSD17B10 640/4885MAPT 4055/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 PDPK1 2108/4885HSD17B10 4263/4885MAPT 3331/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB PDPK1 4179/4885HSD17B10 406/4885MAPT 2667/4885
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 PDPK1 726/4885HSD17B10 1758/4885MAPT 4327/4885

“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.