SCHEMBL2991604

SCHEMBL2991604

CCN(CC)S(=O)(=O)Cc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 19/20 0.64
CCNT1 O60563 18/20 0.64
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
ALOX15 P16050 1/20 0.63
CYP2C19 P33261 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
MAP4K4 O95819 2/20 0.62
CDK1 P06493 2/20 0.62
CDK4 P11802 2/20 0.62
CCNB1 P14635 2/20 0.62
CCND1 P24385 2/20 0.62
ABL2 P42684 2/20 0.62
GSK3A P49840 2/20 0.62
CDK7 P50613 2/20 0.62
CCNH P51946 2/20 0.62

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
SCHEMBL8513531 0.90 CDK9 (0.77) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL2997322 0.87 CDK9 (0.81) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL2028318 0.82 CDK9 (0.66) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL2996369 0.81 CDK9 (0.79) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4713670 0.81 USP2 (0.71) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4436852 0.81 CCNT1 (0.66) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4109621 0.80 ALDH1A1 (0.69) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL2996030 0.80 CDK9 (0.58) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4111486 0.80 CDK9 (0.83) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4103907 0.80 USP2 (0.72) CDK9CCNT1USP2ALDH1A1LMNA

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 18 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
EP-2137164-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP 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
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 CDK9 11/4885CCNT1 123/4885USP2 1490/4885
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 CDK9 8/4885CCNT1 35/4885USP2 864/4885

“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.