SCHEMBL2053082

SCHEMBL2053082

COc1cccc(-c2cc(Nc3ccc(CNS(C)(=O)=O)cc3)ncn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.59
CYP3A4 P08684 11/20 0.59
CYP2C19 P33261 11/20 0.59
CYP2D6 P10635 10/20 0.59
CLK4 Q9HAZ1 8/20 0.59
TSHR P16473 7/20 0.59
MAPK1 P28482 6/20 0.59
HSD17B10 Q99714 4/20 0.59
TP53 P04637 3/20 0.59
HIF1A Q16665 3/20 0.59
CYP2C9 P11712 3/20 0.54
USP2 O75604 2/20 0.54
ALDH1A1 P00352 5/20 0.52
CCNT1 O60563 3/20 0.52
CDK9 P50750 3/20 0.52
LMNA P02545 2/20 0.52
ABL1 P00519 3/20 0.52
BCR P11274 3/20 0.52
ALOX15 P16050 2/20 0.52
BACE1 P56817 1/20 0.51

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
SCHEMBL2031138 0.89 ABL1 (0.57) CCNT1CDK9ABL1BCRBACE1
SCHEMBL17022942 0.86 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL2024011 0.86 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL2991680 0.84 CCNT1 (0.56) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
Hydrochloric Acid SCHEMBL2031816 0.84 CCNT1 (0.64) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL2023527 0.82 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL12984174 0.82 CCNT1 (0.60) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL2028318 0.80 CDK9 (0.66) CYP1A2CYP2C19CYP2D6CLK4TSHR
SCHEMBL2049143 0.80 CDK9 (0.57) CYP1A2CYP2C19CYP2D6CLK4TSHR
SCHEMBL2027996 0.80 BACE1 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6CLK4

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-2516405-B1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S R L (IT) 2015-09-30 EP disclosed
US-9040529-B2 4-phenylamino-pyrimidine derivatives having protein kinase inhibitor activity VICHEM CHEMIE KUTATÓ KFT. (HU) 2015-05-26 US disclosed
EP-2516405-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY Vichem Chemie Kutató KFT (HU) 2012-10-31 EP disclosed
US-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S.R.L. (IT) 2012-10-11 US disclosed
WO-2011077171-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VICHEM CHEMIE KUTATÓ KFT. (HU) 2011-06-30 WO 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-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY CDK9, CDK19, CDKL3 CYP1A2 3521/4885CYP3A4 2541/4885CYP2C19 798/4885

“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.