SCHEMBL1774003

SCHEMBL1774003

CN(C)CCNc1cc(NCC2CC2)ncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 1.00
DNM2 P50570 3/20 0.58
GPR39 O43194 1/20 0.48
CYP2C19 P33261 1/20 0.43
IKBKB O14920 7/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK1 O14757 2/20 0.40
CHEK2 O96017 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL1774715 0.81 HRH4 (0.68) HRH4DNM2GPR39CHEK1CHEK2
SCHEMBL1774600 0.80 HRH4 (0.66) HRH4DNM2GPR39CHEK1CHEK2
SCHEMBL4043020 0.78 DNM2 (0.65) HRH4DNM2CYP2C19MAP4K4CHEK1
SCHEMBL12497656 0.76 DNM2 (0.62) HRH4DNM2CYP2C19MAP4K4HRH3
SCHEMBL17581278 0.74 DNM2 (0.60) HRH4DNM2CYP2C19MAP4K4HRH3
SCHEMBL1774736 0.72 HRH4 (0.56) HRH4DNM2GPR39IKBKBCHEK1
SCHEMBL2580117 0.72 HRH4 (0.56) HRH4GPR39CHEK1CHEK2
SCHEMBL18985437 0.72 HRH4 (0.56) HRH4GPR39MAP4K4CHEK1CHEK2
SCHEMBL10187127 0.72 HRH4 (0.56) HRH4GPR39CHEK1CHEK2HRH3
SCHEMBL17300725 0.72 DNM2 (0.57) HRH4DNM2CYP2C19MAP4K4HRH3

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 HRH4 184/4885DNM2 3050/4885GPR39 1965/4885

“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.