SCHEMBL17349698

SCHEMBL17349698

COc1cc(-c2cc(C)nc(N)n2)c(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 17/20 1.00
▸ HSP90AB1 P08238 14/20 1.00
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.42
▸ AGPAT2 O15120 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL3943444 0.86 HSP90AA1 (1.00) HSP90AA1HSP90AB1NPC1GAAAGPAT2
SCHEMBL17349496 0.84 HSP90AA1 (0.72) HSP90AA1HSP90AB1GAAKCNH2
SCHEMBL17349593 0.84 HSP90AA1 (0.71) HSP90AA1HSP90AB1GAAAGPAT2KCNH2
SCHEMBL17349695 0.84 HSP90AA1 (0.74) HSP90AA1HSP90AB1NPC1GAAAGPAT2
SCHEMBL17349612 0.81 HSP90AA1 (0.70) HSP90AA1HSP90AB1NPC1GAAAGPAT2
SCHEMBL3944444 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1NPC1GAAAGPAT2
SCHEMBL18750368 0.78 HSP90AA1 (0.76) HSP90AA1HSP90AB1NPC1
SCHEMBL18750373 0.78 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL17349617 0.78 HSP90AA1 (0.65) HSP90AA1HSP90AB1NPC1GAAAGPAT2
SCHEMBL15758089 0.75 HSP90AA1 (0.62) HSP90AA1HSP90AB1AGPAT2

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 5/4885NPC1 1685/4885
US-20210363154-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME HSP90AB2P, HSF1, HSPH1 HSP90AA1 7/4885HSP90AB1 4/4885NPC1 1911/4885
US-10336768-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AA1 8/4885HSP90AB1 5/4885NPC1 1685/4885
US-10961254-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AA1 8/4885HSP90AB1 5/4885NPC1 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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