Sugi Predict

Sugi Predict / Compounds / SCHEMBL2298735

SCHEMBL2298735

SCHEMBL2298735

OCc1cc2cnc(Cl)nc2n1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ POLB P06746 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCND2 P30279 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ COMT P21964 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32

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
SCHEMBL15011853 0.85 MEN1 (0.39) ALDH1A1KMT2AKDM4EHPGDLMNA
SCHEMBL2300562 0.78 PIK3CA (0.38) CDK4CTSLCTSSCTSK
SCHEMBL22488683 0.78 WEE1 (0.32) —
SCHEMBL16882808 0.76 MLYCD (0.32) —
SCHEMBL2304507 0.72 CDK4 (0.47) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL29651155 0.72 MAT2A (0.33) MAPTL3MBTL1CDK4CCND1CCND2
SCHEMBL29650911 0.72 CDK4 (0.62) MAPTCDK4CCND1CCND2CCND3
SCHEMBL22488681 0.71 WEE1 (0.51) —
SCHEMBL2685547 0.70 CTSK (0.48) CDK4CCND1CCND2CCND3CTSS
SCHEMBL2298732 0.69 CTSK (0.50) CDK4CCND1CCND3CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 — — US disclosed
EP-2536730-B1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-07-08 — — EP disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 — — US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 — — US disclosed
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 — — US disclosed
EP-2536730-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 Novartis AG (CH) 2012-12-26 — — EP disclosed
WO-2011101409-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2011-08-25 — — 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-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 MAPT 4000/4885POLB 720/4885HTT 2435/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 MAPT 3975/4885POLB 667/4885HTT 2408/4885

“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.