SCHEMBL2479934

SCHEMBL2479934

CN1CCN(c2ccc(Nc3ncc(C#N)c(N)n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
SLC2A1 P11166 1/20 0.60
CDK4 P11802 8/20 0.57
CCND1 P24385 7/20 0.57
CDK2 P24941 4/20 0.56
CDK1 P06493 3/20 0.56
CCNA2 P20248 3/20 0.56
FLT3 P36888 2/20 0.56
FGFR1 P11362 2/20 0.56
CCNB1 P14635 2/20 0.56
CCNE1 P24864 2/20 0.56
CDK9 P50750 2/20 0.56
CDK6 Q00534 2/20 0.56
PIK3CD O00329 1/20 0.56
PRKAB2 O43741 1/20 0.56
NUAK1 O60285 1/20 0.56
CCNT1 O60563 1/20 0.56
ABL1 P00519 1/20 0.56
FYN P06241 1/20 0.56

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
SCHEMBL29310350 0.86 SLC2A1 (0.60) SLC2A1CDK4CCND1CDK2CDK1
SCHEMBL29310349 0.86 ALK (0.60) SLC2A1CDK4CCND1CDK2CDK1
SCHEMBL2482380 0.85 SLC2A1 (0.65) SLC2A1CDK4CCND1CDK2CDK1
SCHEMBL29311092 0.84 SLC2A1 (0.56) SLC2A1CDK4CCND1CDK2CDK1
SCHEMBL12064950 0.84 CDK4 (0.62) CDK4CCND1CDK2CDK1CCNA2
SCHEMBL2483649 0.84 SLC2A1 (0.63) NPC1RAB9ASLC2A1CDK4CCND1
SCHEMBL30620425 0.83 CDK4 (0.67) CDK4CCND1CDK2CDK1CCNA2
SCHEMBL270386 0.83 CDK4 (0.67) CDK4CCND1CDK2CDK1CCNA2
SCHEMBL16120478 0.82 CDK4 (0.53) SLC2A1CDK4CCND1CDK2CDK1
SCHEMBL17709572 0.82 CDK4 (0.53) SLC2A1CDK4CCND1CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730860-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-04 US disclosed
US-20190135790-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-05-09 US disclosed
US-10150756-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-11 US disclosed
EP-3099677-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2016-12-07 EP disclosed
US-20160332993-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-17 US disclosed
CN-106029653-A Diaminopyrimidine benzenesulfone derivatives and uses thereof 达纳-法伯癌症研究所股份有限公司 2016-10-12 CN disclosed
EP-2376493-B1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD KK (JP) 2016-10-05 EP disclosed
EP-2376493-B1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD KK (JP) 2016-10-05 EP disclosed
WO-2015117053-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-08-06 WO disclosed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US disclosed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US disclosed
EP-2376493-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD K.K. (JP) 2011-10-19 EP disclosed
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 US disclosed
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 US disclosed
WO-2010067886-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO disclosed
WO-2010067886-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 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 (5 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-20160332993-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRPF3 NPC1 4679/4885RAB9A 4076/4885SLC2A1 4715/4885
US-10150756-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof BRDT, BRD4, BRPF3 NPC1 4679/4885RAB9A 4076/4885SLC2A1 4715/4885
US-20190135790-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRPF3 NPC1 4679/4885RAB9A 4076/4885SLC2A1 4715/4885
US-10730860-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof BRDT, BRD4, BRPF3 NPC1 4679/4885RAB9A 4076/4885SLC2A1 4715/4885
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE2, WEE1, RPS6KA1 NPC1 3849/4885RAB9A 1570/4885SLC2A1 2999/4885

“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.