SCHEMBL16077833

SCHEMBL16077833

CCc1c(COCc2ccccc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 11/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ FPR1 P21462 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4D Q6B0I6 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL16046157 0.87 KDM5A (0.46) KDM5AKDM4EGAACYP2D6CYP2C9
SCHEMBL16046985 0.87 KDM5A (0.47) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL16046459 0.83 KDM5A (0.48) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL18159119 0.82 KDM5A (0.53) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL16046974 0.81 RAB9A (0.50) KDM5AKDM4EGAACYP2D6CYP2C9
SCHEMBL16077822 0.79 KDM5A (0.42) KDM5AKDM4EGAAALDH1A1HSD17B10
SCHEMBL16048043 0.79 KDM5A (0.50) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL16047129 0.79 KDM5A (0.50) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL16047275 0.78 KDM5A (0.47) KDM5AKDM4EGAAALDH1A1HSD17B10
SCHEMBL16047075 0.78 KDM5A (0.49) KDM5AKDM4EALDH1A1LMNAHSD17B10

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-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-09-18 — — 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-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM5A 4/4885KDM4E 27/4885GAA 461/4885

“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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