SCHEMBL17349497

SCHEMBL17349497

COc1cc(-c2nc(N)nc(C)c2C)c(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 14/20 0.59
▸ HSP90AA1 P07900 12/20 0.59
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.41
▸ DHFR P00374 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40

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
SCHEMBL30445496 1.00 HSP90AB1 (0.59) HSP90AB1HSP90AA1NPC1GAADHFR
SCHEMBL17349617 0.76 HSP90AA1 (0.65) HSP90AB1HSP90AA1NPC1GAA
SCHEMBL23153338 0.75 HSP90AB1 (0.51) HSP90AB1HSP90AA1NPC1GAAADORA2A
SCHEMBL17349613 0.75 HSP90AA1 (0.58) HSP90AB1HSP90AA1NPC1GAA
SCHEMBL17349698 0.75 HSP90AA1 (1.00) HSP90AB1HSP90AA1NPC1GAA
SCHEMBL17349442 0.74 HSP90AA1 (0.51) HSP90AB1HSP90AA1NPC1DHFR
SCHEMBL18750344 0.73 HSP90AA1 (0.59) HSP90AB1HSP90AA1NPC1GAADHFR
SCHEMBL17336011 0.73 HSP90AA1 (0.50) HSP90AB1HSP90AA1NPC1GAAADORA2A
SCHEMBL3943444 0.73 HSP90AA1 (1.00) HSP90AB1HSP90AA1NPC1GAA
SCHEMBL17336017 0.72 HSP90AB1 (0.49) HSP90AB1HSP90AA1NPC1GAAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154547-B1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME YUMA THERAPEUTICS INC (US) 2023-06-07 — — EP disclosed
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
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
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
WO-2015192119-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME YUMA THERAPEUTICS, INC. (US) 2015-12-17 — — 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 (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-20170107228-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME HSP90AB2P, HSPH1, HSF1 HSP90AB1 5/4885HSP90AA1 8/4885NPC1 1685/4885
US-20210363154-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME HSP90AB2P, HSF1, HSPH1 HSP90AB1 4/4885HSP90AA1 7/4885NPC1 1911/4885
US-10336768-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AB1 5/4885HSP90AA1 8/4885NPC1 1685/4885
US-10961254-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AB1 5/4885HSP90AA1 8/4885NPC1 1685/4885

“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.

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