SCHEMBL3224009

SCHEMBL3224009

O=C1NC(C2CC2)Cc2c1c1ccc3cnccc3c1n2CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.35
METAP2 P50579 2/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKD1 Q15139 1/20 0.30
BUB1 O43683 1/20 0.30

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 0.81 CDC7 (0.52) CDC7BUB1
SCHEMBL3229770 0.75 CDC7 (0.37) CDC7METAP2BUB1
SCHEMBL3222669 0.72 CDC7 (0.60) CDC7PRKCZPRKCD
SCHEMBL5459357 0.64 CDC7 (0.69) CDC7
SCHEMBL3222681 0.60 CDC7 (0.49) CDC7CYP3A4PRKD3PRKCGPRKCB
SCHEMBL3210017 0.57 CDC7 (0.56) CDC7PRKCZPRKCD
SCHEMBL3222912 0.56 CDC7 (0.53) CDC7PRKCBPRKCZPRKCD
SCHEMBL16111077 0.54 HTR1A (0.39) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL16110800 0.54 TRPV1 (0.47) CYP3A4CYP2D6
SCHEMBL3632140 0.54 CDC7 (0.76) CDC7PRKCZPRKCD

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 6 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-8293762-B2 Isoquinolinopyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-23 US 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 118/4885METAP2 3825/4885CYP3A4 1913/4885

“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.