SCHEMBL2305520

SCHEMBL2305520

Clc1ncc(Br)c(NC2CCCCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
AXL P30530 1/20 0.54
HPGDS O60760 1/20 0.42
MEN1 O00255 2/20 0.41
PDE4A P27815 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ADORA3 P0DMS8 6/20 0.39
ADORA1 P30542 6/20 0.39
ADORA2A P29274 4/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL24799800 1.00 KMT2A (0.68) KMT2AAXLHPGDSMEN1PDE4A
SCHEMBL2302601 1.00 KMT2A (0.68) KMT2AAXLHPGDSMEN1PDE4A
SCHEMBL29860203 0.98 KMT2A (0.65) KMT2AAXLHPGDSMEN1PDE4A
SCHEMBL1976634 0.98 KMT2A (0.65) KMT2AAXLHPGDSMEN1PDE4A
SCHEMBL586310 0.95 KMT2A (0.60) KMT2AAXLHPGDSMEN1AURKA
SCHEMBL1773741 0.92 KMT2A (0.55) KMT2AAXLHPGDSMEN1AURKA
SCHEMBL23967510 0.88 KMT2A (0.54) KMT2AAXLAURKAAURKBJAK1
SCHEMBL13649059 0.87 KMT2A (0.51) KMT2AAXLHPGDSMEN1AURKA
SCHEMBL19763757 0.86 KMT2A (0.51) KMT2AAXLAURKAAURKBJAK1
SCHEMBL13649033 0.84 KMT2A (0.49) KMT2AAXLMEN1JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084902-B 2-Aminothiazole pyrimidopyridone compound or pharmaceutically acceptable salt or stereoisomer, preparation method and application 赣南师范大学 2024-10-29 CN disclosed
CN-118084902-A 2-Aminothiazole pyrimidopyridone compound or pharmaceutically acceptable salt or stereoisomer, preparation method and application 赣南师范大学 2024-05-28 CN disclosed
EP-3481826-B1 TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2021-11-03 EP disclosed
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
CN-102918043-A Pyrrolopyrimidine compounds as CDK4/6 inhibitors NOVARTIS AG 2013-02-06 CN 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 KMT2A 541/4885AXL 1652/4885HPGDS 2198/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 KMT2A 566/4885AXL 1626/4885HPGDS 2215/4885

“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.