SCHEMBL4978633

SCHEMBL4978633

CCn1c(NC)nc2cc(N(C)c3ccnc(Cl)n3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
KDR P35968 9/20 0.37
KIT P10721 7/20 0.37
PDGFRA P16234 7/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPC5 Q9UL62 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL4980267 0.86 KDR (0.43) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL4980958 0.86 MAPK1 (0.53) HTTMAPK1LMNAGAAALDH1A1
SCHEMBL4976887 0.77 KDR (0.42) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL4981637 0.77 KDR (0.42) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL5227351 0.75 KDR (0.44) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL14263302 0.75 NPC1 (0.51) HTTMAPK1LMNAGAAKDR
SCHEMBL4980488 0.75 NPC1 (0.47) HTTMAPK1LMNAGAAKDR
SCHEMBL14263335 0.75 NPC1 (0.53) HTTMAPK1LMNAGAAKDR
Hydrochloric Acid SCHEMBL4983995 0.75 KDR (0.49) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL589373 0.75 KDR (0.54) LMNAKDRKITPDGFRACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR HTT 3966/4885MAPK1 2438/4885LMNA 3917/4885

“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.