SCHEMBL17349447

SCHEMBL17349447

COc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 10/20 0.39
▸ HSP90AB1 P08238 9/20 0.39
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ ILK Q13418 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ DHFR P00374 1/20 0.32

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
SCHEMBL17336011 0.89 HSP90AA1 (0.50) HSP90AA1HSP90AB1ADORA2AADORA1NPC1
SCHEMBL4731523 0.87 HSP90AA1 (0.40) HSP90AA1HSP90AB1ADORA2AADORA1RECQL
SCHEMBL4735575 0.79 GAA (0.39) HSP90AA1HSP90AB1MEN1ALDH1A1KMT2A
SCHEMBL4848542 0.78 LRRK2 (0.39) —
SCHEMBL23153320 0.78 HSP90AA1 (0.40) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL17349451 0.76 HSP90AA1 (0.38) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL14207911 0.75 ADORA2A (0.34) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL14209035 0.75 HSP90AB1 (0.49) HSP90AA1HSP90AB1ADORA2AADORA1DHFR
SCHEMBL4732878 0.75 HSP90AA1 (0.41) HSP90AA1HSP90AB1DHFR
SCHEMBL4735379 0.73 HSP90AB1 (0.51) HSP90AA1HSP90AB1ADORA2AADORA1DHFR

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 7 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
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 HSP90AA1 8/4885HSP90AB1 5/4885ADORA2A 451/4885
US-20210363154-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME HSP90AB2P, HSF1, HSPH1 HSP90AA1 7/4885HSP90AB1 4/4885ADORA2A 417/4885
US-10336768-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AA1 8/4885HSP90AB1 5/4885ADORA2A 451/4885
US-10961254-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AA1 8/4885HSP90AB1 5/4885ADORA2A 451/4885

“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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