SCHEMBL18696068

SCHEMBL18696068

O=C(O)Cc1ccc(-n2cnc3cc(-c4ccncc4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.47
▸ NTRK1 P04629 3/20 0.47
▸ RET P07949 2/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CCDC6 Q16204 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ FGFR1 P11362 4/20 0.45
▸ RIPK1 Q13546 1/20 0.44

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
SCHEMBL17315063 0.99 KDR (0.47) KDRNTRK1RETCSF1RKCNH2
Lithium Ion SCHEMBL17315061 0.91 KDR (0.49) KDRNTRK1RETCSF1RKCNH2
SCHEMBL18696058 0.90 KDR (0.55) KDRNTRK1RETCSF1RKCNH2
SCHEMBL17315054 0.89 KDR (0.54) KDRNTRK1RETCSF1RKCNH2
SCHEMBL18696065 0.87 NTRK1 (0.46) KDRNTRK1RETCSF1RKCNH2
SCHEMBL17323692 0.86 GABRA1 (0.48) KDRNTRK1RETCSF1RKCNH2
SCHEMBL17315048 0.86 NTRK1 (0.45) KDRNTRK1RETCSF1RKCNH2
SCHEMBL17315131 0.85 GABRA1 (0.47) KDRNTRK1RETCSF1RKCNH2
SCHEMBL17315064 0.85 FGFR1 (0.54) KDRNTRK1RETCSF1RKCNH2
SCHEMBL17323774 0.85 MAP3K8 (0.46) KDRNTRK1RETCSF1RKCNH2

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 5 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

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 KDR 262/4885NTRK1 441/4885RET 10/4885

“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.

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