SCHEMBL3461322

SCHEMBL3461322

CCOc1c(OCCc2cc3ccccc3nn2)nnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ GAA P10253 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TLR8 Q9NR97 2/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ELANE P08246 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
SCHEMBL3461366 0.77 KDM4E (0.44) CYP1A2LMNAALDH1A1TLR8CYP2C9
SCHEMBL3063629 0.71 KDM4E (0.48) CYP1A2LMNATDP1GAAALDH1A1
SCHEMBL12737723 0.68 KDM4E (0.50) CYP1A2TDP1GAAALDH1A1TLR8
SCHEMBL3349292 0.68 POLB (0.61) TDP1GAAALDH1A1RAB9AKDM4E
SCHEMBL29488275 0.68 POLB (0.61) TDP1GAAALDH1A1RAB9AKDM4E
SCHEMBL16681658 0.68 TLR8 (0.54) CYP1A2ABCB11LMNACYP2D6SCN1A
SCHEMBL1639437 0.67 KDM4E (0.65) CYP1A2GAAALDH1A1TLR8RAB9A
SCHEMBL29694174 0.66 GPR84 (0.44) CYP1A2ALDH1A1TLR8RAB9AKDM4E
SCHEMBL644629 0.66 GPR84 (0.44) CYP1A2ALDH1A1TLR8RAB9AKDM4E
SCHEMBL28620478 0.66 KMT2A (0.51) CYP1A2LMNAGAAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090012084-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER CSF3R, CSF1R, KIT CYP1A2 3403/4885ABCB11 2781/4885LMNA 1680/4885

“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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