SCHEMBL1579901

SCHEMBL1579901

Cc1nc(N)ncc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
CSNK1A1 P48729 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MBOAT4 Q96T53 2/20 0.43
KDM4E B2RXH2 7/20 0.39
CDK4 P11802 1/20 0.39
CCND3 P30281 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 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
SCHEMBL2976247 0.79 P2RX3 (0.38) ADORA2AADORA1KDM4ERXFP1P2RX3
SCHEMBL15434635 0.78 CSNK1A1 (0.39) ADORA2AADORA1CSNK1A1CLK4MBOAT4
SCHEMBL263835 0.78 CSNK1A1 (0.64) ADORA2AADORA1CSNK1A1CLK4KDM4E
SCHEMBL14757551 0.75 ADORA2A (0.51) ADORA2AADORA1CSNK1A1CLK4KDM4E
SCHEMBL3356613 0.75 CSNK1A1 (0.55) ADORA2AADORA1CSNK1A1CLK4P2RX3
SCHEMBL24135156 0.75 CSNK1A1 (0.60) ADORA2AADORA1CSNK1A1CLK4MBOAT4
SCHEMBL28110085 0.75 CSNK1A1 (0.37) ADORA2AADORA1CSNK1A1CLK4MBOAT4
SCHEMBL20168096 0.75 CSNK1A1 (0.37) ADORA2AADORA1CSNK1A1CLK4MBOAT4
SCHEMBL18874068 0.75 ADORA2A (0.47) ADORA2AADORA1CSNK1A1CLK4KDM4E
SCHEMBL2872655 0.75 ADORA2A (0.47) ADORA2AADORA1CSNK1A1CLK4MBOAT4

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015106012-A1 AZAINDOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-16 WO claimed
EP-4638445-A1 1,2,4-THIAZOLIDIN-3-ONE-1,1-DIOXIDE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2025-10-29 EP disclosed
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-10-03 US disclosed
WO-2024137727-A1 1,2,4-THIAZOLIDIN-3-ONE-1,1-DIOXIDE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-27 WO disclosed
EP-3929194-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-17 EP disclosed
EP-4330236-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2024-03-06 EP disclosed
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN disclosed
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-20130225816-A1 Process for the preparation of substituted pyrimidine derivatives JANSSEN PHARMACEUTICA NV (US) 2013-08-29 US disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
US-20130053561-A1 Process for the preparation of substituted pyrimidine derivatives JANSSEN PHARMACEUTICA NV (US) 2013-02-28 US disclosed
US-8309720-B2 Process for the preparation of substituted pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2012-11-13 US disclosed
WO-2012071511-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
CN-102137672-A Process for the preparation of substituted pyrimidine derivatives JANSSEN PHARMACEUTICA NV 2011-07-27 CN disclosed
EP-2310012-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINE DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2011-04-20 EP disclosed
US-20100004450-A1 Process for the preparation of substituted pyrimidine derivatives CESCO-CANCIAN SERGIO 2010-01-07 US disclosed
WO-2010002774-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 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 (6 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-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 ADORA2A 1449/4885ADORA1 976/4885CSNK1A1 31/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ADORA2A 1165/4885ADORA1 2514/4885CSNK1A1 307/4885
US-20100004450-A1 Process for the preparation of substituted pyrimidine derivatives HRH4, HRH2, HRH3 ADORA2A 43/4885ADORA1 42/4885CSNK1A1 3800/4885
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 ADORA2A 1835/4885ADORA1 2297/4885CSNK1A1 1872/4885
US-20130053561-A1 Process for the preparation of substituted pyrimidine derivatives HRH4, HRH2, HRH3 ADORA2A 43/4885ADORA1 42/4885CSNK1A1 3800/4885
US-20130225816-A1 Process for the preparation of substituted pyrimidine derivatives HRH4, HRH2, HRH3 ADORA2A 43/4885ADORA1 42/4885CSNK1A1 3800/4885

“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.