SCHEMBL104694

SCHEMBL104694

CC(C)c1ccc(C#N)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 5/20 0.39
ERBB2 P04626 2/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
EGFR P00533 2/20 0.37
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 1/20 0.37

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
SCHEMBL21037833 0.84 PIK3CD (0.35) PANK3KDM5BEGFRPIK3CDABL1
SCHEMBL17000196 0.84 PIK3CD (0.35) PANK3KDM5BEGFRPIK3CDABL1
SCHEMBL27980447 0.84 KDM5B (0.36) PANK3ALDH1A1HPGDSMN1; SMN2KDM5B
SCHEMBL26917172 0.84 SCN10A (0.39) PANK3KDM5BEGFRPIK3CDABL1
SCHEMBL30521444 0.84 PGR (0.39) PANK3KDM5BEGFRPIK3CDABL1
SCHEMBL26917176 0.84 SCN10A (0.39) PANK3KDM5BEGFRPIK3CDABL1
SCHEMBL10328716 0.84 PGR (0.39) PANK3KDM5BEGFRPIK3CDABL1
SCHEMBL14480360 0.84 SCN10A (0.39) PANK3KDM5BEGFRPIK3CDABL1
Hydrochloric Acid SCHEMBL14480220 0.82 SCN10A (0.38) PANK3KDM5BEGFRPIK3CDABL1
Hydrochloric Acid SCHEMBL28155991 0.82 SCN10A (0.38) PANK3KDM5BEGFRPIK3CDABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
WO-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 WO disclosed
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
WO-2007087488-A9 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2008-08-28 WO disclosed
US-20080188556-A1 Water-Soluble Prodrugs of Florfenicol and its Analogs SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2008-08-07 US disclosed
US-20080153906-A1 Water-Soluble Phenicol Prodrugs in a Lipophilic Vehicle System INTERVET INC. 2008-06-26 US disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20070155799-A1 CARBONATES OF FENICOL ANTIBIOTICS INTERVET INC. 2007-07-05 US disclosed
US-4923993-A Process for the preparation of 2-pyridinecarboxylic acid derivatives and 1-amino-1,4-dihydropyridine-2-carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-08 US disclosed
EP-0221023-A2 Process for the preparation of pyridine-2-carboxylic-acid derivatives and 1-amino-1,4-dihydropyridine-2-carboxylic-acid derivatives CIBA-GEIGY AG (CH) 1987-05-06 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 (10 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-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists NR3C1, NR3C2, MC2R PANK3 1732/4885ERBB2 811/4885NPC1 1457/4885
US-20080153906-A1 Water-Soluble Phenicol Prodrugs in a Lipophilic Vehicle System BPHL, CYP4B1, CYP4A22 PANK3 1183/4885ERBB2 1181/4885NPC1 1050/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 PANK3 140/4885ERBB2 459/4885NPC1 1577/4885
US-20070155799-A1 CARBONATES OF FENICOL ANTIBIOTICS CYP4F3, TET1, CYP4F2 PANK3 459/4885ERBB2 2857/4885NPC1 992/4885
US-20080188556-A1 Water-Soluble Prodrugs of Florfenicol and its Analogs PFAS, ADH5, SI PANK3 1953/4885ERBB2 2593/4885NPC1 2630/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 PANK3 1600/4885ERBB2 2847/4885NPC1 21/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 PANK3 1033/4885ERBB2 3324/4885NPC1 762/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A PANK3 1202/4885ERBB2 4628/4885NPC1 1373/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS PANK3 806/4885ERBB2 316/4885NPC1 4279/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 PANK3 1117/4885ERBB2 2157/4885NPC1 611/4885

“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.