SCHEMBL863097

SCHEMBL863097

Cc1cc(-c2ccn[nH]2)nc(-c2ccc(C)cc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 7/20 0.41
NOTUM Q6P988 4/20 0.40
ALDH1A1 P00352 2/20 0.38
IDO1 P14902 1/20 0.38
PIM1 P11309 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HPGDS O60760 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 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
SCHEMBL863739 0.90 IDO1 (0.47) COMTNOTUMALDH1A1IDO1
SCHEMBL863096 0.83 COMT (0.49) COMTNOTUMALDH1A1PIM1POLB
SCHEMBL863178 0.77 KDR (0.39) POLBMAPTSMN1; SMN2HPGDCASP3
SCHEMBL20411750 0.70 ALPL (0.41) ALDH1A1MAPTSMN1; SMN2HPGDCASP3
SCHEMBL11983702 0.70 CCR1 (0.59) COMTNOTUMALDH1A1PIM1POLB
SCHEMBL863311 0.68 TGFBR1 (0.39) ALDH1A1IDO1MAPTSMN1; SMN2HPGD
SCHEMBL859416 0.67 HPGDS (0.50) COMTNOTUMALDH1A1IDO1PIM1
SCHEMBL12070605 0.67 KDM4E (0.46) ALDH1A1POLBSMN1; SMN2HPGDNPC1
SCHEMBL15889909 0.67 NOTUM (0.50) COMTNOTUMALDH1A1IDO1PIM1
SCHEMBL16404995 0.67 ALPL (0.38) ALDH1A1MAPTSMN1; SMN2HPGDCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507679-B2 Heteroleptic, dual tridentate Ru(II) complexes as sensitizers for dye-sensitized solar cells NATIONAL TSING HUA UNIVERSITY (TW) 2013-08-13 US disclosed
US-20120073660-A1 HETEROLEPTIC, DUAL TRIDENTATE RU(II) COMPLEXES AS SENSITIZERS FOR DYE-SENSITIZED SOLAR CELLS NATIONAL TSING HUA UNIVERSITY (TW) 2012-03-29 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-20120073660-A1 HETEROLEPTIC, DUAL TRIDENTATE RU(II) COMPLEXES AS SENSITIZERS FOR DYE-SENSITIZED SOLAR CELLS RUVBL2, RUVBL1, CCNL2 COMT 3371/4885NOTUM 3748/4885ALDH1A1 1708/4885

“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.