SCHEMBL5776588

SCHEMBL5776588

CN(C)c1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
C5AR1 P21730 1/20 0.49
BRS3 P32247 1/20 0.47
MEN1 O00255 2/20 0.46
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
CLPP Q16740 5/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PNMT P11086 1/20 0.44
CFTR P13569 1/20 0.42
SLC6A5 Q9Y345 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
SCHEMBL5999840 0.85 KMT2A (0.56) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL31095294 0.84 C5AR1 (0.60) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL1831804 0.84 C5AR1 (0.60) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL29486422 0.82 KMT2A (0.58) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL19959258 0.82 KMT2A (0.58) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL10036330 0.82 KMT2A (0.55) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL29888556 0.82 KMT2A (0.55) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL4863713 0.81 KMT2A (0.52) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL6001553 0.81 KMT2A (0.52) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL5999914 0.81 KMT2A (0.54) KMT2AKDM4EALDH1A1GLAGAA

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 3583/4885KDM4E 2413/4885ALDH1A1 1113/4885

“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.