SCHEMBL3406506

SCHEMBL3406506

Cc1ccc2nnn(Cc3ccc(N)nn3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
NCK1 P16333 1/20 0.37
BACE1 P56817 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
BRD4 O60885 1/20 0.35
SLC9A1 P19634 2/20 0.35
GRM2 Q14416 2/20 0.35
TLR8 Q9NR97 1/20 0.35
CDK9 P50750 1/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
SI P14410 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGAM2 Q2M2H8 1/20 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
SCHEMBL247707 0.83 PTK2 (0.40) BACE1SLC9A1GRM2CDK9RAB9A
SCHEMBL3402278 0.83 NAMPT (0.39) NAMPTPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL3400619 0.78 NAMPT (0.34) NAMPTNCK1BACE1POLBCYP1A2
SCHEMBL19848207 0.74 SLC9A1 (0.59) POLBCYP1A2CYP2C9CYP2C19SLC9A1
SCHEMBL19911496 0.74 GRM2 (0.66) NAMPTPOLBBRD4SLC9A1GRM2
SCHEMBL19911491 0.72 POLB (0.43) NAMPTPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL19911484 0.71 SLC9A1 (0.62) POLBCYP1A2CYP2C9CYP2C19SLC9A1
SCHEMBL19911489 0.70 POLB (0.44) NAMPTPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL19848199 0.69 POLB (0.43) NAMPTPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL19911485 0.69 POLB (0.40) POLBCYP1A2CYP2C9CYP2C19BRD4

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 37/4885NCK1 1854/4885BACE1 926/4885

“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.