SCHEMBL6364400

SCHEMBL6364400

N#CC(=O)c1cc2cnc(Cl)nc2n1C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.46
CCND1 P24385 9/20 0.46
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
CDK2 P24941 3/20 0.40
CCND3 P30281 3/20 0.40
CDK6 Q00534 2/20 0.40
CCNE1 P24864 1/20 0.40
CDK1 P06493 5/20 0.39
CDK9 P50750 2/20 0.39
AURKA O14965 3/20 0.38
AURKB Q96GD4 3/20 0.38
CCNT1 O60563 1/20 0.38
NUAK1 O60285 1/20 0.37

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
SCHEMBL1991171 0.85 CDK4 (0.50) CDK4CCND1CDK2CCND3CDK6
SCHEMBL22174830 0.85 CDK4 (0.49) CDK4CCND1CDK2CCND3CDK6
SCHEMBL19711678 0.84 CDK4 (0.51) CDK4CCND1CDK2CCND3CDK6
SCHEMBL31106627 0.81 CDK4 (0.53) CDK4CCND1CDK2CCND3CDK6
SCHEMBL29988033 0.81 CDK4 (0.67) CDK4CCND1CDK2CCND3CDK6
SCHEMBL31372001 0.81 CDK4 (0.53) CDK4CCND1CDK2CCND3CDK6
SCHEMBL1988950 0.81 CDK4 (0.52) CDK4CCND1CDK2CCND3CDK6
SCHEMBL1990321 0.81 CDK4 (0.67) CDK4CCND1CDK2CCND3CDK6
SCHEMBL20425411 0.81 CDK4 (0.53) CDK4CCND1CDK2CCND3CDK6
SCHEMBL2301318 0.80 CDK4 (0.69) CDK4CCND1CDK2CCND3CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753933-A1 SUCCINATE SALT OF 7-CYCLOPENTYL-2 -(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF Novartis AG (CH) 2020-12-23 EP disclosed
US-9868739-B2 Salt(s) of 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide and processes of making thereof NOVARTIS AG (CH) 2018-01-16 US disclosed
US-9868739-B2 Salt(s) of 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide and processes of making thereof NOVARTIS AG (CH) 2018-01-16 US disclosed
US-20160039832-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF NOVARTIS AG (CH) 2016-02-11 US disclosed
US-9193732-B2 Salt(s) of 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid dimethylamide and processes of making thereof NOVARTIS AG (CH) 2015-11-24 US disclosed
US-9193732-B2 Salt(s) of 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid dimethylamide and processes of making thereof NOVARTIS AG (CH) 2015-11-24 US disclosed
US-20150099760-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF NOVARTIS AG (CH) 2015-04-09 US disclosed
US-20130217698-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF ASTEX THERAPEUTICS LTD (GB) 2013-08-22 US disclosed
US-20130217698-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF ASTEX THERAPEUTICS LTD (GB) 2013-08-22 US disclosed
WO-2012064805-A1 SALT(S) OF 7-CYCLOPENTYL-2 -(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF NOVARTIS AG (CH) 2012-05-18 WO disclosed
US-20120115878-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF CALIENNI JOHN VINCENT (US) 2012-05-10 US disclosed
US-20120115878-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF CALIENNI JOHN VINCENT (US) 2012-05-10 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 (4 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-20150099760-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF PKD2, SLC6A7, DHPS CDK4 2373/4885CCND1 4058/4885CTSS 2610/4885
US-20160039832-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF PKD2, DHPS, SRM CDK4 2284/4885CCND1 3904/4885CTSS 2326/4885
US-20130217698-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF PKD2, SLC6A7, DHPS CDK4 2373/4885CCND1 4058/4885CTSS 2610/4885
US-20120115878-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF PKD2, SLC6A7, DHPS CDK4 2373/4885CCND1 4058/4885CTSS 2610/4885

“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.