SCHEMBL5776436

SCHEMBL5776436

C=C(C)c1ncc2n1CCN(Cc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
MC4R P32245 1/20 0.41
COMT P21964 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 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
SCHEMBL5775595 0.81 SIGMAR1 (0.50) SIGMAR1MC4RCOMTLMNAPOLB
SCHEMBL5778759 0.77 SIGMAR1 (0.46) SIGMAR1MC4RCOMTLMNAPOLB
SCHEMBL5773487 0.77 SIGMAR1 (0.46) SIGMAR1MC4RCOMTLMNAPOLB
SCHEMBL5778612 0.77 SIGMAR1 (0.42) SIGMAR1MC4RCOMTLMNAPOLB
SCHEMBL1994688 0.77 SIGMAR1 (0.42) SIGMAR1MC4RCOMTLMNAPOLB
SCHEMBL23268618 0.77 SIGMAR1 (0.49) SIGMAR1MC4RCOMTLMNAPOLB
SCHEMBL10095281 0.77 SIGMAR1 (0.49) SIGMAR1MC4RCOMTLMNAPOLB
SCHEMBL5776762 0.77 SIGMAR1 (0.49) SIGMAR1MC4RCOMTLMNAPOLB
SCHEMBL5775996 0.76 SIGMAR1 (0.45) SIGMAR1MC4RCOMTLMNAPOLB
SCHEMBL1999832 0.74 SIGMAR1 (0.42) SIGMAR1MC4RCOMTLMNAPOLB

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 SIGMAR1 795/4885MC4R 1064/4885COMT 2393/4885

“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.