SCHEMBL9949540

SCHEMBL9949540

O=C1NC(=O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.49
CCND1 P24385 7/20 0.49
PRKACA P17612 2/20 0.47
PRKACG P22612 2/20 0.47
PRKACB P22694 2/20 0.47
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MDH2 P40926 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAP4K1 Q92918 1/20 0.42
OPA1 O60313 1/20 0.42
EIF5B O60841 1/20 0.42
MET P08581 1/20 0.42
HMOX2 P30519 1/20 0.42
IMPDH2 P12268 1/20 0.42
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
CCNE2 O96020 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40

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
SCHEMBL10150344 0.88 CDK4 (0.50) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL1395804 0.85 GSK3B (0.45) OPA1EIF5BMETHMOX2GSK3A
SCHEMBL6324892 0.84 CDK4 (0.44) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6327449 0.84 CDK4 (0.59) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL224940 0.83 CDK4 (0.61) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6332262 0.82 CDK4 (0.68) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6327465 0.82 CDK4 (0.56) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6326531 0.82 CDK4 (0.56) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6334227 0.81 CDK4 (0.50) CDK4CCND1PRKACAPRKACGPRKACB
SCHEMBL6329959 0.80 CDK4 (0.60) CDK4CCND1PRKACAPRKACGPRKACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655372-B1 PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME ARQULE INC (US) 2016-03-16 EP disclosed
US-8470786-B2 Pyrroloquinolinyl-pyrrolidine-2,5-dione compositions and methods for preparing and using same ARQULE, INC. (US) 2013-06-25 US disclosed
US-20120165278-A1 Pyrroloquinolinyl-Pyrrolidine-2,5-Dione Compositions And Methods For Preparing And Using Same ARQULE, INC. (US) 2012-06-28 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-20120165278-A1 Pyrroloquinolinyl-Pyrrolidine-2,5-Dione Compositions And Methods For Preparing And Using Same DHPS, PDCD5, DPYD CDK4 79/4885CCND1 164/4885PRKACA 1854/4885

“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.