SCHEMBL1775475

SCHEMBL1775475

C[C@H]1CN(c2cc(NC3CC3)ncn2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 2/20 0.48
PRKD2 Q9BZL6 2/20 0.48
DPP4 P27487 3/20 0.48
HRH4 Q9H3N8 5/20 0.46
KIT P10721 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CHRM3 P20309 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
METTL3 Q86U44 1/20 0.38
ACVR1 Q04771 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2D6 P10635 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4789831 1.00 PRKD1 (0.48) PRKD1PRKD2DPP4HRH4KIT
SCHEMBL1775168 0.80 HRH4 (0.54) HRH4KITHRH3ACVR1PRKCQ
SCHEMBL1773333 0.80 HRH4 (0.54) HRH4KITHRH3ACVR1PRKCQ
SCHEMBL1774840 0.78 HRH4 (0.64) DPP4HRH4
SCHEMBL17623223 0.77 KIT (0.43) HRH4KITACVR1CYP1A2PRKCQ
SCHEMBL1775602 0.77 KDR (0.55) PRKD1PRKD2DPP4HRH4CHRM3
SCHEMBL27201414 0.77 DPP4 (0.47) PRKD1PRKD2DPP4HRH4METTL3
SCHEMBL30885306 0.77 DPP4 (0.47) PRKD1PRKD2DPP4HRH4METTL3
SCHEMBL23523531 0.76 KIT (0.43) HRH4KITACVR1PRKCQPRKCD
SCHEMBL20898677 0.76 KIT (0.43) HRH4KITACVR1PRKCQPRKCD

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 5 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
EP-1966162-A2 PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2008-09-10 EP disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US disclosed
WO-2007072163-A2 PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-06-28 WO 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 PRKD1 484/4885PRKD2 418/4885DPP4 1794/4885

“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.