SCHEMBL5777641

SCHEMBL5777641

c1ccc(CN2CCc3nc(NCc4ccccn4)ccc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 5/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DHFR P00374 1/20 0.44
LMNA P02545 2/20 0.44
CFTR P13569 1/20 0.43
HSP90AB1 P08238 2/20 0.43
CLPP Q16740 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 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
SCHEMBL5771925 0.79 KMT2A (0.57) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL2910250 0.79 MEN1 (0.52) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL5777961 0.78 SIGMAR1 (0.51) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL5771733 0.77 FAAH (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5776650 0.77 MEN1 (0.50) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL28169874 0.76 RAB9A (0.54) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL2910881 0.76 KMT2A (0.54) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL1014048 0.76 MEN1 (0.58) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL29883119 0.73 KMT2A (0.63) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL1038680 0.73 KMT2A (0.63) NPC1RAB9AMEN1KMT2ATP53

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 NPC1 468/4885RAB9A 2043/4885MEN1 1661/4885

“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.