SCHEMBL2685016

SCHEMBL2685016

O=C(O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.81
CCND1 P24385 19/20 0.81
CDK6 Q00534 8/20 0.81
CCND3 P30281 8/20 0.81
CDK2 P24941 5/20 0.81
CCNA2 P20248 4/20 0.81
GAK O14976 1/20 0.81
CCNT1 O60563 1/20 0.81
FECH P22830 1/20 0.81
CDK9 P50750 1/20 0.81
CDK16 Q00536 1/20 0.81
MAP3K1 Q13233 1/20 0.81
CAMK2G Q13555 1/20 0.81
CAMK2D Q13557 1/20 0.81
Q6ZSR9 Q6ZSR9 1/20 0.81
PRKD2 Q9BZL6 1/20 0.81
SIK2 Q9H0K1 1/20 0.81
CDK1 P06493 1/20 0.78
CCND2 P30279 7/20 0.74
FGFR1 P11362 2/20 0.73

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
SCHEMBL29507453 1.00 CDK4 (0.81) CDK4CCND1CDK6CCND3CDK2
Dimethylamine SCHEMBL28726027 0.97 CDK4 (0.80) CDK4CCND1CDK6CCND3CDK2
SCHEMBL23837859 0.92 CDK4 (0.83) CDK4CCND1CDK6CCND3CDK2
SCHEMBL31121782 0.91 CDK4 (0.80) CDK4CCND1CDK6CCND3CDK2
SCHEMBL303542 0.91 CDK4 (0.80) CDK4CCND1CDK6CCND3CDK2
SCHEMBL29507623 0.91 CDK4 (0.80) CDK4CCND1CDK6CCND3CDK2
SCHEMBL29507498 0.90 CDK4 (0.72) CDK4CCND1CDK6CCND3CDK2
SCHEMBL29507471 0.90 CDK4 (0.69) CDK4CCND1CDK6CCND3CDK2
Ribociclib SCHEMBL302310 0.90 CDK4 (1.00) CDK4CCND1CDK6CCND3CDK2
Ribociclib SCHEMBL29385337 0.90 CDK4 (1.00) CDK4CCND1CDK6CCND3CDK2

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 13 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
EP-2638030-B1 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) 2020-04-15 EP disclosed
EP-3279201-B1 CDK INHIBITOR, EUTECTIC CRYSTAL OF MEK INHIBITOR, AND PREPARATION METHOD THEREFOR CRYSTAL PHARMATECH CO LTD (CN) 2019-10-23 EP disclosed
EP-3370719-A1 DOSAGE REGIMEN FOR A PHOSPHATIDYLINOSITOL 3-KINASE INHIBITOR Novartis AG (CH) 2018-09-12 EP disclosed
EP-3279201-A1 CDK INHIBITOR, EUTECTIC CRYSTAL OF MEK INHIBITOR, AND PREPARATION METHOD THEREFOR Crystal Pharmatech Co., Ltd. (CN) 2018-02-07 EP disclosed
WO-2017077445-A1 DOSAGE REGIMEN FOR A PHOSPHATIDYLINOSITOL 3-KINASE INHIBITOR NOVARTIS AG (CH) 2017-05-11 WO 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-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
EP-2331547-B1 PYRROLOPYRIMIDINE COMPOUNDS AS CDK INHIBITORS NOVARTIS AG (CH) 2014-07-30 EP disclosed
EP-2638030-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) 2013-09-18 EP 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

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 4058/4885CDK6 1719/4885
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 3904/4885CDK6 1864/4885
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 4058/4885CDK6 1719/4885
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 4058/4885CDK6 1719/4885

“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.