SCHEMBL3229770

SCHEMBL3229770

O=C1CCCc2c1c1ccc3cnccc3c1n2CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.37
BUB1 O43683 10/20 0.36
CACNA1B Q00975 1/20 0.34
METAP2 P50579 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK10 P53779 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL3227116 0.85 CDC7 (0.52) CDC7BUB1
SCHEMBL3224009 0.75 CDC7 (0.35) CDC7BUB1METAP2
SCHEMBL3225560 0.67 CDC7 (0.68) CDC7BUB1
SCHEMBL26924400 0.60 HTT (0.41)
SCHEMBL4444514 0.60 DYRK1A (0.42) CDC7BUB1
SCHEMBL16111077 0.59 HTR1A (0.39) HTR2B
SCHEMBL7489227 0.59 PLK1 (0.53) ALDH1A1
SCHEMBL5460179 0.58 RIPK3 (0.60) CDC7BUB1
SCHEMBL13859948 0.57 IMPDH2 (0.50) CDC7ALDH1A1
SCHEMBL6921111 0.57 CSNK2A2 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120933-B1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-07-08 EP claimed
US-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-04 US claimed
EP-2120933-B1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-07-08 EP disclosed
US-8293762-B2 Isoquinolinopyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-23 US disclosed
US-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-04 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-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS CDK2, CDK1, CDK3 CDC7 118/4885BUB1 394/4885CACNA1B 4388/4885

“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.