SCHEMBL4051287

SCHEMBL4051287

[c]1nn2nc(-c3ccccc3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.40
KMT2A Q03164 4/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 5/20 0.35
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 1/20 0.35
STAT3 P40763 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
STAT1 P42224 1/20 0.33

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
SCHEMBL4050061 0.84 PARP1 (0.46) PARP1KMT2AMAPTRAB9AKDM4E
SCHEMBL4045189 0.83 MEN1 (0.39) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4043421 0.83 PARP1 (0.41) PARP1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL4047056 0.83 PARP1 (0.45) PARP1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL4044795 0.83 HSD17B1 (0.44)
SCHEMBL4047695 0.79 IDO1 (0.46) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4043096 0.79 ALDH1A3 (0.43) KMT2AMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL2271721 0.70 PARP1 (0.41) PARP1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL2269185 0.70 PARP1 (0.44) PARP1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL2267809 0.69 PARP1 (0.43) PARP1KMT2AMAPTSMN1; SMN2RAB9A

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
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP 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 (2 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R PARP1 4142/4885KMT2A 2946/4885MAPT 1533/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R PARP1 3913/4885KMT2A 2851/4885MAPT 1475/4885

“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.