SCHEMBL5144169

SCHEMBL5144169

NC(=O)Cc1ccc(-c2ccncc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.50
▸ CYP11B2 P19099 4/20 0.50
▸ WNT3A P56704 7/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ SLC22A12 Q96S37 1/20 0.43
▸ MAP2K3 P46734 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CASP1 P29466 1/20 0.41

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
SCHEMBL15520353 0.85 CYP11B1 (0.57) CYP11B1CYP11B2WNT3ANPC1RAB9A
SCHEMBL28103317 0.84 RAB9A (0.52) CYP11B1CYP11B2WNT3ANPC1RAB9A
SCHEMBL28103661 0.79 CYP17A1 (0.56) CYP11B1CYP11B2WNT3ARAB9ASMN1; SMN2
SCHEMBL14355099 0.78 CYP11B1 (0.57) CYP11B1CYP11B2
SCHEMBL28103664 0.77 CA2 (0.46) RAB9ASLC22A12CA2
SCHEMBL14355076 0.75 HPGDS (0.56) CYP11B1CYP11B2NPC1SMN1; SMN2MAP2K3
SCHEMBL1178369 0.74 CA2 (0.58) RAB9ASMN1; SMN2CA2
SCHEMBL12533585 0.74 RAB9A (0.58) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL12303035 0.74 WNT3A (0.82) WNT3A
Hydrochloric Acid SCHEMBL2673007 0.73 CA2 (0.56) RAB9ASMN1; SMN2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180243305-A1 COMPOSITIONS AND METHODS FOR TREATING BONE DISEASES RUSH UNIVERSITY MEDICAL CENTER (US) 2018-08-30 — — US disclosed
US-7301029-B2 Bipyridine Derivatives FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-11-27 — — US disclosed
US-20050085642-A1 Novel bipyridine derivatives SANKIO CHEMICAL CO., LTD. 2005-04-21 — — 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-20050085642-A1 Novel bipyridine derivatives PFAS, CBR3, Q6ZSR9 CYP11B1 2629/4885CYP11B2 2638/4885WNT3A 4410/4885

“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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