SCHEMBL18820155

SCHEMBL18820155

CC(C)(C)OC(=O)Nc1ccnc(C(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.59
AAK1 Q2M2I8 4/20 0.46
SMARCA4 P51532 1/20 0.45
CYP17A1 P05093 4/20 0.43
ATR Q13535 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
NAMPT P43490 1/20 0.41
MAP4K4 O95819 1/20 0.41
SYK P43405 1/20 0.41
SREBF2 Q12772 1/20 0.40
PSMB8 P28062 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL17622055 0.89 SMARCA2 (0.56) SMARCA2AAK1SMARCA4
SCHEMBL22432054 0.85 SMARCA2 (0.43) SMARCA2AAK1SMARCA4CYP17A1ATR
SCHEMBL18862939 0.85 CYP17A1 (0.42) SMARCA2CYP17A1ATRCA12CA1
SCHEMBL5013603 0.85 MAP4K4 (0.43) SMARCA2CYP17A1ATRCA12CA1
SCHEMBL28639230 0.81 CYP17A1 (0.41) SMARCA2CYP17A1ATRCA12CA1
SCHEMBL1501665 0.80 SMARCA2 (0.57) SMARCA2SMARCA4CYP17A1ATRCA12
SCHEMBL30293080 0.80 SMARCA2 (0.57) SMARCA2AAK1SMARCA4CYP17A1ATR
SCHEMBL16055308 0.80 SMARCA2 (0.57) SMARCA2AAK1SMARCA4CYP17A1ATR
SCHEMBL21614653 0.79 SMARCA2 (0.60) SMARCA2SMARCA4CYP17A1ATRRXFP1
SCHEMBL29975585 0.79 SMARCA2 (0.50) SMARCA2SMARCA4CYP17A1ATRCA12

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-108473499-B Novel pyrazolopyrimidine derivatives 诺华股份有限公司 2021-07-23 CN disclosed
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors NOVARTIS AG (CH) 2019-10-15 US disclosed
CN-106170489-B New Pyrazolopyrimidine derivative and its purposes as MALT1 inhibitor 诺华股份有限公司 2019-05-03 CN disclosed
CN-108473499-A Novel Pyrazolopyrimidine derivative 诺华股份有限公司 2018-08-31 CN disclosed
US-20180030061-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2018-02-01 US disclosed
US-9815842-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhibitors NOVARTIS AG (CH) 2017-11-14 US disclosed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
WO-2017081641-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2017-05-18 WO disclosed
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2017-05-04 US disclosed
CN-106170489-A New Pyrazolopyrimidine derivative and the purposes as MALT1 inhibitor thereof 诺华股份有限公司 2016-11-30 CN 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-20180030061-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 SMARCA2 2532/4885AAK1 385/4885SMARCA4 1991/4885
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES UGT2B7, CYP3A43, CYP3A7 SMARCA2 2675/4885AAK1 4765/4885SMARCA4 2362/4885
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 SMARCA2 2532/4885AAK1 385/4885SMARCA4 1991/4885
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors FBP1, MMEL1, MALT1 SMARCA2 3478/4885AAK1 426/4885SMARCA4 2781/4885

“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.