SCHEMBL4189989

SCHEMBL4189989

Cc1cc2cnc(Cl)nc2n1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.42
CDK9 P50750 4/20 0.42
CCND1 P24385 12/20 0.41
CDK2 P24941 10/20 0.41
CCNE1 P24864 9/20 0.41
CDK6 Q00534 8/20 0.41
CDK4 P11802 6/20 0.41
CCND3 P30281 1/20 0.41
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
ALDH1A1 P00352 1/20 0.38
CCNA2 P20248 1/20 0.37
PIK3CA P42336 1/20 0.36

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
SCHEMBL19711675 0.84 CCND1 (0.40) CCNT1CDK9CCND1CDK2CCNE1
SCHEMBL20676931 0.82 CCND1 (0.42) CCNT1CDK9CCND1CDK2CCNE1
SCHEMBL6363390 0.81 CTSK (0.48) CCNT1CDK9CCND1CDK2CCNE1
SCHEMBL27927200 0.81 NUAK1 (0.40) CCNT1CDK9CCND1CDK2CCNE1
SCHEMBL31475403 0.79 CDK2 (0.57) CCNT1CDK9CCND1CDK2CCNE1
SCHEMBL20677055 0.79 CDK6 (0.52) CCNT1CDK9CCND1CDK2CCNE1
SCHEMBL19711678 0.79 CDK4 (0.51) CCNT1CDK9CCND1CDK2CCNE1
SCHEMBL2685547 0.78 CTSK (0.48) CCNT1CDK9CCND1CDK2CCNE1
SCHEMBL1991037 0.78 CTSK (0.48) CCNT1CDK9CCND1CDK2CCNE1
SCHEMBL1993255 0.78 CTSK (0.41) CCNT1CDK9CCND1CDK2CCNE1

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
WO-2024056090-A1 PYRROLOPYRIMIDINE DERIVATIVE AS RSK INHIBITOR AND USE THEREOF 华东师范大学 2024-03-21 WO disclosed
CN-117720532-A Pyrrolopyrimidine derivatives as RSK inhibitors and use thereof 华东师范大学 2024-03-19 CN disclosed
CN-111386272-B Improved preparation method of Riboxib and salt thereof 费森尤斯卡比肿瘤学有限公司 2023-01-06 CN disclosed
US-20200277295-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RIBOCICLIB AND ITS SALTS FRESENIUS KABI ONCOLOGY LIMITED (IN) 2020-09-03 US disclosed
EP-3700908-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RIBOCICLIB AND ITS SALTS Fresenius Kabi Oncology Ltd (IN) 2020-09-02 EP disclosed
CN-111386272-A Improved preparation method of Riboxib and salt thereof 费森尤斯卡比肿瘤学有限公司 2020-07-07 CN disclosed
CN-107936029-B Method for synthesizing Ribociclib 南京奇可药业有限公司 2020-06-30 CN disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
CN-101594871-A Pyrrolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2009-12-02 CN disclosed
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 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 (3 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP CCNT1 455/4885CDK9 71/4885CCND1 615/4885
US-20200277295-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RIBOCICLIB AND ITS SALTS SUCLG2, RRM2B, IDH1 CCNT1 318/4885CDK9 198/4885CCND1 565/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CCNT1 455/4885CDK9 71/4885CCND1 615/4885

“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.