SCHEMBL3402278

SCHEMBL3402278

Cc1ccc2nnn(Cc3ccc(Cl)nn3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GRM2 Q14416 4/20 0.38
SLC9A1 P19634 2/20 0.38
BRD4 O60885 1/20 0.37
KMO O15229 1/20 0.37
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTK2 Q05397 2/20 0.35
MGAM O43451 2/20 0.34
AMY1A P0DUB6 2/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL3406506 0.83 NAMPT (0.39) NAMPTTDP1RAB9AMAPTMAPK1
SCHEMBL251664 0.83 PTK2 (0.40) TDP1HTTGRM2SLC9A1KMO
SCHEMBL19911496 0.77 GRM2 (0.66) NAMPTTDP1RAB9AKDM4EALDH1A1
SCHEMBL19911491 0.76 POLB (0.43) NAMPTTDP1RAB9AKDM4EALDH1A1
SCHEMBL19848207 0.74 SLC9A1 (0.59) RAB9AKDM4EALDH1A1MAPTMAPK1
SCHEMBL19911484 0.71 SLC9A1 (0.62) RAB9AALDH1A1GRM2SLC9A1KMO
SCHEMBL17103044 0.71 SLC9A1 (0.62) RAB9AKDM4EALDH1A1MAPTMAPK1
SCHEMBL3400619 0.70 NAMPT (0.34) NAMPTRAB9AKDM4EALDH1A1MAPT
SCHEMBL19911489 0.70 POLB (0.44) NAMPTTDP1RAB9AKDM4EALDH1A1
SCHEMBL19848199 0.69 POLB (0.43) NAMPTTDP1RAB9AKDM4EALDH1A1

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 37/4885TDP1 4378/4885RAB9A 2752/4885

“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.