SCHEMBL17323692

SCHEMBL17323692

O=C(O)Cc1ccc(-n2cnc3cc(-c4cccnc4)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.48
▸ GABRG2 P18507 1/20 0.48
▸ GABRB3 P28472 1/20 0.48
▸ GABRA5 P31644 1/20 0.48
▸ GABRA3 P34903 1/20 0.48
▸ GABRA2 P47869 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.45
▸ FGFR1 P11362 5/20 0.44
▸ NTRK1 P04629 2/20 0.44
▸ RET P07949 2/20 0.44
▸ KDR P35968 3/20 0.44
▸ NAPRT Q6XQN6 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CCDC6 Q16204 1/20 0.43
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ PORCN Q9H237 1/20 0.42
▸ RIPK1 Q13546 1/20 0.42
▸ RIPK3 Q9Y572 1/20 0.42

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
SCHEMBL17315131 0.99 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
Lithium Ion SCHEMBL17315130 0.91 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17315114 0.90 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18696058 0.89 KDR (0.55) FGFR1NTRK1RETKDRCSF1R
SCHEMBL18696065 0.88 NTRK1 (0.46) FGFR1NTRK1RETKDRCSF1R
SCHEMBL17315054 0.88 KDR (0.54) FGFR1NTRK1RETKDRCSF1R
SCHEMBL17315048 0.87 NTRK1 (0.45) FGFR1NTRK1RETKDRCSF1R
SCHEMBL18696068 0.86 KDR (0.47) KDM4EFGFR1NTRK1RETKDR
SCHEMBL17315038 0.86 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17315063 0.85 KDR (0.47) KDM4EFGFR1NTRK1RETKDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074778-B Benzimidazole analogs and related methods 代表亚利桑那大学的亚利桑那校董会 2019-12-13 — — CN disclosed
US-9988371-B2 Benzimidazole analogues and related methods THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-06-05 — — US disclosed
US-9988371-B2 Benzimidazole analogues and related methods THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-06-05 — — US disclosed
US-20170101401-A1 BENZIMIDAZOLE ANALOGUES AND RELATED METHODS THE ARIZONA BOARD OF REGENTS, ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-04-13 — — US disclosed
US-20170101401-A1 BENZIMIDAZOLE ANALOGUES AND RELATED METHODS THE ARIZONA BOARD OF REGENTS, ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-04-13 — — US disclosed
WO-2015187818-A1 BENZIMIDAZOLE ANALOGUES AND RELATED METHODS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2015-12-10 — — WO 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-20170101401-A1 BENZIMIDAZOLE ANALOGUES AND RELATED METHODS ABL1, BTK, JAK2 GABRA1 784/4885GABRG2 1039/4885GABRB3 720/4885

“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.

Send feedback