SCHEMBL1640925

SCHEMBL1640925

COc1c(C#N)nnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.52
▸ GPR3 P46089 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ IMPDH2 P12268 1/20 0.39
▸ IMPDH1 P20839 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAD52 P43351 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP14 P31944 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ CASP2 P42575 1/20 0.34
▸ CASP4 P49662 1/20 0.34
▸ CASP5 P51878 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
SCHEMBL23942265 0.77 GPR3 (0.48) POLBGPR3KDM4EALDH1A1CYP1A2
SCHEMBL1640068 0.74 CYP1A2 (0.59) POLBGPR3KDM4EALDH1A1MAPK1
SCHEMBL20301264 0.73 KDM4E (0.48) POLBGPR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL14289088 0.72 GPR3 (0.43) POLBGPR3KDM4EALDH1A1CYP1A2
SCHEMBL15160141 0.71 ALDH1A1 (0.67) POLBKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL20178365 0.71 LRRK2 (0.54) POLBIMPDH2IMPDH1EGFR
SCHEMBL7830291 0.71 POLB (0.59) POLBKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL31636814 0.69 POLB (0.56) POLBKDM4EALDH1A1CYP1A2SQOR
SCHEMBL1408391 0.69 POLB (1.00) POLBGPR3KDM4EALDH1A1MAPK1
SCHEMBL31171419 0.67 KDM4E (0.61) POLBKDM4EALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190272-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-08-04 — — US disclosed
US-20110098283-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER ASTRAZENECA AB 2011-04-28 — — US disclosed
US-7723337-B2 3-cinnolinecarboxamide derivatives and their use for treating cancer ASTRAZENECA AB (SE) 2010-05-25 — — US disclosed
US-20090012084-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER ASTRAZENECA AB (SE) 2009-01-08 — — US 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 (3 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-20110190272-A1 CHEMICAL COMPOUNDS CSF3R, FLT3, CILK1 POLB 3154/4885GPR3 1801/4885KDM4E 2870/4885
US-20110098283-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER CSF3R, CSF1R, KIT POLB 3777/4885GPR3 64/4885KDM4E 2188/4885
US-20090012084-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER CSF3R, CSF1R, KIT POLB 3777/4885GPR3 64/4885KDM4E 2188/4885

“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.

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