SCHEMBL4431783

SCHEMBL4431783

CN(c1cccc(Cl)c1)c1ccnc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.50
FGFR1 P11362 2/20 0.50
EPHB4 P54760 2/20 0.50
GRM4 Q14833 1/20 0.46
KIT P10721 2/20 0.46
PDGFRA P16234 2/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
EGFR P00533 3/20 0.41
CSF1R P07333 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CHKA P35790 1/20 0.40
GRM5 P41594 2/20 0.39
DOT1L Q8TEK3 1/20 0.38
NOS2 P35228 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
SCHEMBL16655520 0.85 RXRA (0.40) KDRFGFR1EPHB4KITPDGFRA
SCHEMBL1024535 0.85 KDR (0.39) KDRFGFR1EPHB4GRM4KIT
SCHEMBL5394102 0.83 CHKA (0.44) KDRFGFR1EPHB4RXRARXRB
SCHEMBL20612458 0.79 KDR (0.36) KDRFGFR1EPHB4GRM4KIT
SCHEMBL17261126 0.79 ABCG2 (0.47) EGFRMAPT
SCHEMBL13535553 0.78 KDR (0.38) KDRFGFR1EPHB4KITPDGFRA
SCHEMBL6313916 0.78 IGF1R (0.54) KDRKITPDGFRADOT1L
SCHEMBL13670044 0.77 APP (0.47) KDRFGFR1EPHB4KITPDGFRA
SCHEMBL25453063 0.77 EGFR (0.46) KDRFGFR1EPHB4GRM4KIT
SCHEMBL30502771 0.77 EGFR (0.46) KDRFGFR1EPHB4GRM4KIT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101668749-A Novel pyrimidine derivatives 698 ASTRAZENECA AB 2010-03-10 CN disclosed
EP-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 EP disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 KDR 1003/4885FGFR1 661/4885EPHB4 1/4885

“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.