SCHEMBL4052644

SCHEMBL4052644

Nc1nn(-c2ccc(F)cc2)nc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 5/20 0.58
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
HDAC1 Q13547 2/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DHFR P00374 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
NOTUM Q6P988 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL8300771 0.76 NPC1 (0.55) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL1619956 0.74 KDM4E (0.67) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3421565 0.74 NPC1 (1.00) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL22576501 0.74 NPC1 (0.47) NPC1RAB9AKMT2AMEN1HDAC1
SCHEMBL23833671 0.71 NPC1 (0.46) NPC1RAB9AKMT2AMEN1HDAC1
SCHEMBL1619603 0.71 NPC1 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL13290989 0.70 NPC1 (0.81) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL14327659 0.70 NOTUM (0.41) NPC1RAB9AKMT2AMEN1HDAC1
SCHEMBL13990568 0.67 NPC1 (0.46) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2159964 0.67 KMT2A (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1

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 NPC1 4195/4885RAB9A 2657/4885KMT2A 2946/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R NPC1 4203/4885RAB9A 2739/4885KMT2A 2851/4885

“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.