SCHEMBL3461366

SCHEMBL3461366

COc1c(OCc2cc3ccccc3nn2)nnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ PKM P14618 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAD52 P43351 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ VDR P11473 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33

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
SCHEMBL3461322 0.77 CYP1A2 (0.41) KDM4EPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL1640068 0.75 CYP1A2 (0.59) KDM4EPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL3463166 0.70 KDM4E (0.54) KDM4EPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL3071109 0.67 ALDH1A1 (0.50) KDM4EPOLBALDH1A1CYP1A2KMT2A
SCHEMBL12737723 0.66 KDM4E (0.50) KDM4EALDH1A1CYP1A2KMT2AMAPT
SCHEMBL3063629 0.66 KDM4E (0.48) KDM4EPOLBALDH1A1CYP1A2KMT2A
SCHEMBL1408391 0.64 POLB (1.00) KDM4EPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL18045058 0.63 CYSLTR1 (0.55) CYP1A2TLR8
SCHEMBL8161366 0.63 KDM4E (0.46) KDM4EPOLBALDH1A1CYP1A2KMT2A
SCHEMBL19952669 0.63 KDM4E (0.46) KDM4EPOLBALDH1A1CYP1A2CYP2C19

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 KDM4E 2188/4885POLB 3777/4885PKM 2976/4885

“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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