SCHEMBL1171987

SCHEMBL1171987

NC1=NC(N)(c2ccc(Cl)cc2F)NC=C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.36
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR5A P47898 1/20 0.31
TP53 P04637 1/20 0.31
CTSD P07339 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
EGFR P00533 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL1172201 0.90 BACE1 (0.33) BACE1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1172548 0.85 BACE1 (0.40) BACE1ALDH1A1HTR5ACTSDBACE2
SCHEMBL1172224 0.78 BACE1 (0.32) BACE1HTR5ABACE2
SCHEMBL1171981 0.77 SLC6A4 (0.38) BACE1ALDH1A1ALOX15SMN1; SMN2EGFR
SCHEMBL1171670 0.76 AGPAT2 (0.38) ALDH1A1
SCHEMBL1171746 0.74 CTSD (0.32) BACE1CTSDBACE2
SCHEMBL1171691 0.73 BACE1 (0.41) BACE1
SCHEMBL1172386 0.73 SLC6A3 (0.38) BACE1
SCHEMBL1172152 0.72 TAAR1 (0.39) TSHRHTR5A
SCHEMBL1171761 0.68 APP (0.32) BACE1

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
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
EP-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 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-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 BACE1 3399/4885HTR3E 1291/4885HTR3B 1174/4885

“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.