SCHEMBL1774435

SCHEMBL1774435

Nc1nc(Cl)cc(N2CCCN(C(=O)O)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
LMNA P02545 4/20 0.52
KMT2A Q03164 2/20 0.50
HRH4 Q9H3N8 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HTT P42858 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NUDT1 P36639 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL16701366 0.94 MAPT (0.59) MAPTCYP1A2CYP2D6LMNAKMT2A
SCHEMBL1318180 0.84 MAPT (0.72) MAPTCYP1A2CYP2D6LMNAKMT2A
SCHEMBL3719291 0.81 MAPT (0.72) MAPTCYP1A2CYP2D6LMNAKMT2A
SCHEMBL18153268 0.80 HRH4 (0.41) MAPTCYP1A2CYP2D6LMNAKMT2A
SCHEMBL18153411 0.80 GBA1 (0.54) HSD17B10GBA1
SCHEMBL1318490 0.79 CYP1A2 (0.70) MAPTCYP1A2CYP2D6LMNAKMT2A
SCHEMBL1320033 0.79 CYP1A2 (0.70) MAPTCYP1A2CYP2D6LMNAKMT2A
SCHEMBL11963431 0.77 GBA1 (0.42) MAPTCYP1A2CYP2D6LMNAKMT2A
SCHEMBL1774506 0.77 HRH4 (0.71) MAPTCYP1A2CYP2D6KMT2AHRH4
SCHEMBL3779757 0.75 LMNA (0.55) MAPTCYP1A2CYP2D6LMNAKMT2A

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 MAPT 3183/4885CYP1A2 556/4885CYP2D6 179/4885

“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.