SCHEMBL2570787

SCHEMBL2570787

O=Cc1cccc(-n2ccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.63
CYP3A4 P08684 2/20 0.55
CYP11B1 P15538 2/20 0.50
CYP19A1 P11511 2/20 0.50
CYP2A6 P11509 1/20 0.50
CYP11B2 P19099 1/20 0.50
FGFR1 P11362 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP17A1 P05093 1/20 0.44
CYP21A2 P08686 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ENPP2 Q13822 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43

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
SCHEMBL29546575 1.00 IDO1 (0.63) IDO1CYP3A4CYP11B1CYP19A1CYP2A6
SCHEMBL14489499 0.82 IDO1 (0.75) IDO1CYP3A4CYP11B1CYP19A1CYP2A6
SCHEMBL4816908 0.81 IDO1 (0.55) IDO1CYP3A4CYP11B1CYP19A1CYP2A6
SCHEMBL8288350 0.80 MAPT (0.60) CYP3A4PDE3BPDE3AMEN1ALOX15
SCHEMBL209879 0.80 MAPT (0.60) CYP3A4PDE3BPDE3AMEN1ALOX15
SCHEMBL2644421 0.79 FGFR1 (0.56) IDO1CYP3A4FGFR1NCOA3MEN1
SCHEMBL29935829 0.79 FGFR1 (0.51) IDO1CYP2A6FGFR1ALDH1A1
SCHEMBL29953329 0.78 ALDH1A1 (0.52) CYP2A6FGFR1MAPTALDH1A1
SCHEMBL4024285 0.78 ALDH1A1 (0.52) CYP2A6FGFR1MAPTALDH1A1
SCHEMBL17820777 0.78 CYP3A4 (0.47) IDO1CYP3A4CYP11B1CYP19A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116964044-A Acetamido-phenyltetrazole derivatives and methods of use thereof 希华医药有限公司 2023-10-27 CN disclosed
CN-116940562-A Acetamido-phenylbenzamide derivatives and methods of use thereof 希华医药有限公司 2023-10-24 CN disclosed
US-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-09-28 US disclosed
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 US disclosed
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 US disclosed
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 US disclosed
EP-4225747-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
WO-2022076663-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed
WO-2022076662-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed
EP-0373645-B1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA SPA (IT) 1995-04-19 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5362729-A Dihydropyridine derivatives useful in antitumor therapy FARMITALIA CARLO ERBA S.R.L. (IT) 1994-11-08 US disclosed
EP-0533504-A1 Dihydropyridine derivatives useful in antitumor therapy PHARMACIA S.p.A. (IT) 1993-03-24 EP disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
EP-0403627-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-27 EP disclosed
WO-1990006923-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-06-28 WO disclosed
EP-0373645-A1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA S.p.A. (IT) 1990-06-20 EP disclosed
CN-1040366-A Butenoic acid or acrylic acid derivative EISAI CO LTD (JP) 1990-03-14 CN disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 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 (2 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-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MYB, MYBBP1A, MYCBP IDO1 3467/4885CYP3A4 3843/4885CYP11B1 3534/4885
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ABCB1, CYP3A5, CYP3A7 IDO1 2277/4885CYP3A4 6/4885CYP11B1 31/4885

“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.