SCHEMBL10133307

SCHEMBL10133307

O=CNc1ccc2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.61
POLB P06746 3/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
PABPC1 P11940 1/20 0.54
RAB9A P51151 7/20 0.52
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 4/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
CASP1 P29466 1/20 0.49
ATM Q13315 1/20 0.49
CASP3 P42574 1/20 0.48

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
SCHEMBL28152084 0.98 NPC1 (0.59) NPC1POLBMAPTMEN1KMT2A
SCHEMBL18789747 0.86 MEN1 (0.50) NPC1POLBMAPTMEN1KMT2A
SCHEMBL28173261 0.85 MEN1 (0.49) NPC1POLBMAPTMEN1KMT2A
SCHEMBL28112587 0.83 NPC1 (0.58) NPC1POLBMAPTMEN1KMT2A
SCHEMBL27768402 0.78 KMT2A (0.50) NPC1POLBMAPTMEN1KMT2A
SCHEMBL212127 0.77 KDR (0.54) NPC1POLBMAPTRAB9AALDH1A1
SCHEMBL3147770 0.77 NPC1 (0.63) NPC1POLBMAPTMEN1KMT2A
SCHEMBL31084267 0.77 NPC1 (0.67) NPC1POLBMAPTMEN1KMT2A
SCHEMBL7262444 0.77 NPC1 (0.62) NPC1POLBMAPTMEN1KMT2A
SCHEMBL7774453 0.77 NPC1 (0.67) NPC1POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110312511-A pharmaceutical composition 大鹏药品工业株式会社 2019-10-08 CN claimed
CN-105814040-B The condensed 1,4- dihydro two of inhibitor as thermal excited transcryption factor 1 dislikes ene derivative 癌症研究科技有限公司 2019-07-30 CN claimed
CN-110035995-A MAChR M4Positive allosteric modulators 范德比尔特大学 2019-07-19 CN claimed
CN-106565682-B Substituted indole expires ketone derivatives and application thereof 沈阳药科大学 2019-07-16 CN claimed
CN-106467541-B Substituted quinolone analog derivative or its pharmaceutically acceptable salt or stereoisomer and its Pharmaceutical composition and application 暨南大学 2019-04-05 CN claimed
CN-108997214-A It is happy to cut down for Buddhist nun's intermediate and its preparation and the happy preparation cut down for Buddhist nun 成都地奥制药集团有限公司 2018-12-14 CN claimed
CN-105985335-B Hydroxamic acid compound, preparation method and its usage 成都地奥九泓制药厂 2018-06-08 CN claimed
CN-107614489-A Methanesulfonic acid salt of acylthiourea compound, crystal thereof, and process for producing them 大鹏药品工业株式会社 2018-01-19 CN claimed
CN-107072985-A Therapeutic inhibiting compound 莱福斯希医药公司 2017-08-18 CN claimed
CN-106565682-A Substituted indolinone derivative and application thereof 沈阳药科大学 2017-04-19 CN claimed
CN-106458912-A Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics 辉瑞公司 2017-02-22 CN claimed
EP-3812040-B1 COMPLEXES JOHNSON MATTHEY PLC (GB) 2023-01-11 EP disclosed
CN-110483482-A Indoline -1- Carbox amide, preparation method and its in application pharmaceutically BEIJING INNOCARE PHARMA TECH CO LTD 2019-11-22 CN disclosed
CN-104788430-B The treatment method of pyrazole derivatives calcium release activation calcium channel modulators and non-small cell lung cancer 理森制药股份公司 2019-10-22 CN disclosed
CN-110312511-A pharmaceutical composition 大鹏药品工业株式会社 2019-10-08 CN disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
CN-101203142-A Aromatic amides and ureas and their uses as sweet and/or delicate flavor modifiers, flavouring agents and taste enhancers SENOMYX INC (US) 2008-06-18 CN disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
CN-1478078-A Nitrogen-containing aromatic ring derivatives ������������ʽ���� 2004-02-25 CN 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 NPC1 1098/4885POLB 2141/4885MAPT 751/4885

“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.