SCHEMBL2988024

SCHEMBL2988024

CCN(CC)Cc1cccc(-c2cc(Nc3ccc(CS(N)(=O)=O)cc3)ncn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.49
CDK9 P50750 15/20 0.49
MAP4K4 O95819 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
ABL2 P42684 1/20 0.49
GSK3A P49840 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
MNAT1 P51948 1/20 0.49
CCNA1 P78396 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47

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
SCHEMBL8514812 0.92 CCNT1 (0.59) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL17022950 0.86 CYP1A2 (0.63) CCNT1CDK9CYP1A2CYP3A4CYP2D6
SCHEMBL2993794 0.84 CYP1A2 (0.42) CCNT1CDK9CYP1A2CYP3A4CYP2D6
SCHEMBL4435925 0.82 CCNT1 (0.61) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL8514194 0.82 CCNT1 (0.56) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL8514815 0.81 CYP1A2 (0.65) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL2988150 0.81 CYP1A2 (0.47) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL2991680 0.81 CCNT1 (0.56) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL2993696 0.80 CYP19A1 (0.49) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL2998016 0.79 CCNT1 (0.46) CCNT1CDK9MAP4K4CDK1CDK4

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 15 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
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 CCNT1 123/4885CDK9 11/4885MAP4K4 74/4885
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 CCNT1 35/4885CDK9 8/4885MAP4K4 205/4885

“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.