SCHEMBL17349496

SCHEMBL17349496

Cc1cc(-c2cc(OC(C)C)c(Cl)cc2Cl)nc(N)n1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 14/20 0.72
▸ HSP90AB1 P08238 11/20 0.72
▸ KCNH2 Q12809 1/20 0.39
▸ CSNK2A1 P68400 2/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL24054902 0.88 HSP90AA1 (0.60) HSP90AA1HSP90AB1KCNH2CHRNA7
SCHEMBL17349698 0.84 HSP90AA1 (1.00) HSP90AA1HSP90AB1KCNH2GAA
SCHEMBL3943444 0.71 HSP90AA1 (1.00) HSP90AA1HSP90AB1KDM4EGAA
SCHEMBL17349593 0.69 HSP90AA1 (0.71) HSP90AA1HSP90AB1KCNH2GAA
SCHEMBL16606252 0.69 CSNK2A1 (0.52) CSNK2A1HPGDMEN1ALDH1A1KMT2A
SCHEMBL4735575 0.69 GAA (0.39) HSP90AA1HSP90AB1CSNK2A1HPGDMEN1
SCHEMBL17349695 0.69 HSP90AA1 (0.74) HSP90AA1HSP90AB1GAA
SCHEMBL18750368 0.69 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL3944444 0.69 HSP90AA1 (0.68) HSP90AA1HSP90AB1KCNH2GAA
SCHEMBL3277991 0.68 NPC1 (0.61) CSNK2A1HPGDMEN1ALDH1A1KMT2A

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 5/4885KCNH2 2926/4885
US-20210363154-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME HSP90AB2P, HSF1, HSPH1 HSP90AA1 7/4885HSP90AB1 4/4885KCNH2 2363/4885
US-10336768-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AA1 8/4885HSP90AB1 5/4885KCNH2 2926/4885
US-10961254-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AA1 8/4885HSP90AB1 5/4885KCNH2 2926/4885

“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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