SCHEMBL6017593

SCHEMBL6017593

CCCCCc1ncnc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.44
PI4K2B Q8TCG2 2/20 0.44
PI4K2A Q9BTU6 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
TLR8 Q9NR97 3/20 0.38
KCNH2 Q12809 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
ADK P55263 1/20 0.36
DHFR P00374 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
MAPT P10636 2/20 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
SCHEMBL28229366 0.98 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBCASP1
SCHEMBL28791179 0.98 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBCASP1
SCHEMBL28049164 0.94 CASP1 (0.41) PI4KAPI4K2BPI4K2API4KBCASP1
SCHEMBL28935141 0.89 CASP1 (0.52) PI4KAPI4K2BPI4K2API4KBCASP1
SCHEMBL10872550 0.86 HRH4 (0.39) PI4KAPI4K2BPI4K2API4KBCASP1
SCHEMBL4591162 0.86 KCNH2 (0.43) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL2793062 0.84 KCNH2 (0.47) PI4KAPI4K2BPI4K2API4KBLMNA
Ammonia Solution, Strong SCHEMBL29135408 0.82 KCNH2 (0.45) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL7203347 0.79 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL1542351 0.78 KCNH2 (0.42) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2

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-20210363154-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-11-25 US disclosed
CN-106687114-B Pyrimidine compounds and methods of use thereof 尤马治疗公司 2021-08-31 CN disclosed
US-10961254-B2 Pyrimidine compounds and methods using the same YUMA THERAPEUTICS, INC. (US) 2021-03-30 US disclosed
US-10336768-B2 Pyrimidine compounds and methods using the same YUMA THERAPEUTICS, INC. (US) 2019-07-02 US disclosed
CN-108848668-A Modulators of CFTR and methods of use thereof 加利福尼亚大学董事会 2018-11-20 CN disclosed
CN-106687114-A Pyrimidine compounds and methods using the same 尤马治疗公司 2017-05-17 CN disclosed
US-20170107228-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
EP-3154547-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME Yuma Therapeutics, Inc. (US) 2017-04-19 EP disclosed
WO-2015192119-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME YUMA THERAPEUTICS, INC. (US) 2015-12-17 WO disclosed
US-20060252857-A1 Aminoaryl-1-3-5-triazines and their use as uv absorbers SCHAEFER THOMAS 2006-11-09 US disclosed
CN-1795182-A Aminoaryl-1, 3, 5-triazines and their use as UV absorbers CIBA SC HOLDING AG (CH) 2006-06-28 CN disclosed
EP-1641768-A2 AMINOARYL-1-3-5 TRIAZINES AND THEIR USE AS UV ABSORBERS Ciba SC Holding AG (CH) 2006-04-05 EP disclosed
WO-2004106311-A2 AMINOARYL-1-3-5 TRIAZINES AND THEIR USE AS UV ABSORBERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-12-09 WO disclosed
US-5795905-A 3-AMINO-5-PHENYL-1,2,4-TRIAZOLES NEUROCRINE BIOSCIENCES, INC. (US) 1998-08-18 US disclosed
EP-0846108-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1998-06-10 EP disclosed
WO-1996039400-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1996-12-12 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-20170107228-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME HSP90AB2P, HSPH1, HSF1 PI4KA 3634/4885PI4K2B 3507/4885PI4K2A 3181/4885
US-20060252857-A1 Aminoaryl-1-3-5-triazines and their use as uv absorbers IK, CRY2, CRY1 PI4KA 3474/4885PI4K2B 3675/4885PI4K2A 3401/4885
US-20210363154-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME HSP90AB2P, HSF1, HSPH1 PI4KA 2336/4885PI4K2B 2110/4885PI4K2A 1685/4885
US-10336768-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 PI4KA 3634/4885PI4K2B 3507/4885PI4K2A 3181/4885
US-10961254-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 PI4KA 3634/4885PI4K2B 3507/4885PI4K2A 3181/4885

“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.