SCHEMBL423547

SCHEMBL423547

CCc1cn2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.58
RAB9A P51151 11/20 0.58
SMN1; SMN2 Q16637 10/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
TP53 P04637 2/20 0.54
PDE10A Q9Y233 2/20 0.54
MAPK1 P28482 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL9971243 0.85 PDE10A (0.59) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7507665 0.82 PDE10A (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14452085 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14266757 0.81 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8816839 0.81 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7267811 0.81 PDE10A (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9570362 0.81 KDM4E (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9043267 0.81 RAB9A (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL102061 0.81 KDM4E (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL859545 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199745-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2024-06-20 US disclosed
EP-4248973-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 EP disclosed
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates PFIZER INC. (US) 2023-08-01 US disclosed
WO-2023097007-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-06-01 WO disclosed
WO-2023086959-A1 FUSED TRIAZINONE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed
US-20230144095-A1 PYRIDINE DERIVATIVES AND THEIR USE AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-05-11 US disclosed
WO-2023064585-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 US disclosed
WO-2002034716-A2 PYRROLIDINE MODULATORS OF CCR5 CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-05-02 WO disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
US-6358979-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 EP disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
EP-0555825-A1 Imidazo(1,2-a)pyridines as angiotensin-II-antagonists Dr. Karl Thomae GmbH (DE) 1993-08-18 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 (6 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 NPC1 2188/4885RAB9A 3451/4885SMN1; SMN2 4772/4885
US-20240199745-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 NPC1 2211/4885RAB9A 260/4885SMN1; SMN2 4757/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NPC1 2619/4885RAB9A 3664/4885SMN1; SMN2 2550/4885
US-20230144095-A1 PYRIDINE DERIVATIVES AND THEIR USE AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN1B, CACNA1A NPC1 1440/4885RAB9A 1226/4885SMN1; SMN2 551/4885
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 NPC1 1188/4885RAB9A 478/4885SMN1; SMN2 1956/4885
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates SULT1E1, SULT2A1, STS NPC1 2752/4885RAB9A 502/4885SMN1; SMN2 4473/4885

“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.