SCHEMBL3400619

SCHEMBL3400619

Cc1ccc2nnn(Cc3ccc4nc(N)cn4n3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDR P35968 3/20 0.34
PDGFRB P09619 2/20 0.33
BRD4 O60885 1/20 0.33
TLR8 Q9NR97 1/20 0.32
PDE8B O95263 1/20 0.32
POLB P06746 2/20 0.32
MET P08581 1/20 0.32
NCK1 P16333 1/20 0.31
BACE1 P56817 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
GRM2 Q14416 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL253221 0.86 PIK3CG (0.36) BACE1GAAGRM2CDK9MAPK1
Hydrochloric Acid SCHEMBL251752 0.85 PIK3CG (0.35) BACE1GRM2CDK9PTK2
SCHEMBL3397770 0.83 RAB9A (0.36) NAMPTBRD4ALDH1A1GAACDK9
SCHEMBL2745703 0.81 MET (0.44) BRD4METCDK9
SCHEMBL3406506 0.78 NAMPT (0.39) NAMPTTLR7BRD4TLR8POLB
SCHEMBL1551274 0.77 KDR (0.45) KDRPDGFRBMETAURKA
SCHEMBL3402278 0.70 NAMPT (0.39) NAMPTBRD4POLBALDH1A1MAPT
SCHEMBL252109 0.70 KDM4E (0.46) POLBALDH1A1MAPTGAAKDM4E
SCHEMBL252382 0.70 CSNK1D (0.36) BRD4GAARAB9APTK2
SCHEMBL252919 0.70 MGAM (0.34) BRD4GAAGRM2CDK9KDM4E

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
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT NAMPT 37/4885TLR7 4505/4885KDR 1387/4885

“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.