SCHEMBL1776541

SCHEMBL1776541

Clc1cc(N[C@H]2CCN(Cc3ccccc3)C2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.54
BCHE P06276 6/20 0.54
BACE1 P56817 5/20 0.54
OPRK1 P41145 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ROCK2 O75116 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CXCR4 P61073 1/20 0.51
CCR2 P41597 1/20 0.51
ROCK1 Q13464 1/20 0.51
MALT1 Q9UDY8 1/20 0.49
SCN8A Q9UQD0 4/20 0.48
SCN1A P35498 3/20 0.48

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
SCHEMBL1774196 1.00 ACHE (0.54) ACHEBCHEBACE1OPRK1MEN1
SCHEMBL1775084 0.81 HRH4 (0.69) ACHEBCHEBACE1OPRK1ROCK2
SCHEMBL1773531 0.81 HRH4 (0.69) ACHEBCHEBACE1OPRK1ROCK2
SCHEMBL13326542 0.81 DRD2 (0.65) ACHEBCHEBACE1OPRK1ROCK2
SCHEMBL4868726 0.79 ROCK2 (0.56) ACHEBCHEBACE1OPRK1ROCK2
SCHEMBL7828368 0.78 NOS3 (0.58) ACHEBCHEBACE1MEN1KMT2A
SCHEMBL331017 0.77 BCHE (0.68) ACHEBCHEBACE1OPRK1KMT2A
SCHEMBL331018 0.77 BCHE (0.68) ACHEBCHEBACE1OPRK1KMT2A
SCHEMBL3911653 0.76 CCNK (0.61) ACHEBCHEBACE1ROCK2
SCHEMBL3911658 0.76 CCNK (0.61) ACHEBCHEBACE1ROCK2

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-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 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-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP ACHE 4243/4885BCHE 3238/4885BACE1 4179/4885

“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.