SCHEMBL5772682

SCHEMBL5772682

OCCNCc1ccc2c(n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
DHFR P00374 1/20 0.46
MAPT P10636 6/20 0.45
TP53 P04637 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALOX15 P16050 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
CLPP Q16740 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5776892 0.79 MEN1 (0.59) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL16217190 0.79 MEN1 (0.59) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL30474239 0.76 KMT2A (0.61) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL6813463 0.76 MEN1 (0.55) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL5772726 0.76 ALDH1A1 (0.48) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29883119 0.75 KMT2A (0.63) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL1038680 0.75 KMT2A (0.63) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL5777554 0.74 MEN1 (0.53) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL12706737 0.74 MEN1 (0.61) KMT2AMEN1NPC1RAB9ADHFR
SCHEMBL13100451 0.74 MEN1 (0.61) KMT2AMEN1NPC1RAB9ADHFR

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 KMT2A 3583/4885MEN1 1661/4885NPC1 468/4885

“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.