SCHEMBL5144124

SCHEMBL5144124

O=Cc1ccc(-c2ccncc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.52
CYP11B2 P19099 4/20 0.49
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 3/20 0.38
WNT3A P56704 1/20 0.37
IDO1 P14902 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNJ1 P48048 1/20 0.37
MITF O75030 1/20 0.36
HPGD P15428 1/20 0.36
KLF5 Q13887 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DYRK1A Q13627 1/20 0.36
ERN1 O75460 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL30747787 0.86 CYP11B1 (0.56) CYP11B1KDM4ECYP2A6ALDH1A1L3MBTL1
SCHEMBL28682644 0.86 CYP11B1 (0.56) CYP11B1KDM4ECYP2A6ALDH1A1L3MBTL1
SCHEMBL30382878 0.82 LDHA (0.52) CYP11B1CYP11B2MAPTCYP3A4CYP2A6
SCHEMBL2718039 0.82 LDHA (0.52) CYP11B1CYP11B2MAPTCYP3A4CYP2A6
SCHEMBL1356310 0.81 ALDH1A1 (0.44) CYP11B1KDM4ELMNACYP2A6ALDH1A1
SCHEMBL14355115 0.81 CYP11B1 (0.45) CYP11B1CYP11B2GRM5WNT3AIDO1
SCHEMBL5572542 0.81 CYP11B1 (0.46) CYP11B1CYP11B2KDM4ECYP3A4CYP2A6
SCHEMBL4417307 0.79 HSD17B10 (0.54) CYP11B1KDM4EMAPTALDH1A1MITF
SCHEMBL13527931 0.79 CYP11B1 (0.48) CYP11B1CYP11B2KDM4EALDH1A1L3MBTL1
SCHEMBL13568531 0.79 ALDH5A1 (0.54) CYP11B1KDM4EMAPTALDH1A1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301029-B2 Bipyridine Derivatives FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-7301029-B2 Bipyridine Derivatives FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-11-27 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 2638/4885GRM5 2043/4885

“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.