SCHEMBL2993696

SCHEMBL2993696

NS(=O)(=O)Cc1ccc(Nc2cc(-c3cccc(Cn4cncn4)c3)ncn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.49
STS P08842 2/20 0.49
ABL1 P00519 5/20 0.46
BCR P11274 5/20 0.46
CCNT1 O60563 8/20 0.46
CDK9 P50750 8/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
USP2 O75604 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45

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
SCHEMBL8514890 0.93 CCNT1 (0.54) CYP19A1STSABL1BCRCCNT1
SCHEMBL17022948 0.86 CYP1A2 (0.61) CYP19A1STSABL1BCRCCNT1
SCHEMBL2985432 0.85 CYP19A1 (0.41) CYP19A1STSABL1BCRCCNT1
SCHEMBL2998016 0.82 CCNT1 (0.46) ABL1BCRCCNT1CDK9CYP1A2
SCHEMBL8514892 0.82 CYP1A2 (0.61) CYP19A1STSABL1BCRCCNT1
SCHEMBL2996894 0.81 ABL1 (0.47) ABL1BCRCCNT1CDK9CYP1A2
SCHEMBL2988150 0.81 CYP1A2 (0.47) ABL1BCRCCNT1CDK9CYP1A2
SCHEMBL2988024 0.80 CCNT1 (0.49) ABL1BCRCCNT1CDK9CYP1A2
SCHEMBL2991680 0.77 CCNT1 (0.56) ABL1BCRCCNT1CDK9CYP1A2
SCHEMBL2991912 0.75 CYP2D6 (0.44) ABL1BCRCCNT1CDK9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP claimed
US-8389521-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-03-05 US claimed
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-22 US claimed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US claimed
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP disclosed
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP disclosed
US-8389521-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-03-05 US disclosed
US-8389521-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-03-05 US disclosed
US-8389521-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-03-05 US disclosed
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-22 US disclosed
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-22 US disclosed
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-22 US disclosed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US disclosed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US disclosed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US disclosed
WO-2008129069-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 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 (2 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-20100184780-A1 INHIBITORS OF PROTEIN KINASES CDK5, CDK5R1, CDK1 CYP19A1 3948/4885STS 4835/4885ABL1 318/4885
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy CDK5, CDK5R1, CDK4 CYP19A1 4183/4885STS 4835/4885ABL1 890/4885

“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.