SCHEMBL17336023

SCHEMBL17336023

CN(C)CCOc1cc(-c2nc(N)nc3c2CCC3)c(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 10/20 0.50
▸ HSP90AA1 P07900 4/20 0.47
▸ NOS3 P29474 4/20 0.43
▸ NOS1 P29475 4/20 0.43
▸ NOS2 P35228 3/20 0.43
▸ CYP2C19 P33261 1/20 0.41
▸ MAOA P21397 1/20 0.38
▸ HRH2 P25021 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ DHFR P00374 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL17349976 0.91 HSP90AB1 (0.42) HSP90AB1HSP90AA1NOS3NOS1NOS2
SCHEMBL17349442 0.82 HSP90AA1 (0.51) HSP90AB1HSP90AA1HRH2HRH3DHFR
SCHEMBL23153346 0.81 HSP90AB1 (0.48) HSP90AB1HSP90AA1NOS3NOS1NOS2
SCHEMBL23153308 0.75 HSP90AB1 (0.51) HSP90AB1HSP90AA1NOS3NOS1CYP2C19
SCHEMBL17336036 0.74 HRH2 (0.46) HSP90AB1HSP90AA1HRH2HRH3DHFR
SCHEMBL17349619 0.74 HSP90AB1 (0.48) HSP90AB1HSP90AA1NOS3NOS1NOS2
SCHEMBL18750348 0.74 HSP90AB1 (0.48) HSP90AB1HSP90AA1NOS3NOS1NOS2
SCHEMBL14209035 0.74 HSP90AB1 (0.49) HSP90AB1HSP90AA1NOS3NOS1CYP2C19
SCHEMBL17349606 0.73 HSP90AB1 (0.48) HSP90AB1HSP90AA1NOS3NOS1CYP2C19
SCHEMBL24055078 0.73 HSP90AB1 (0.49) HSP90AB1HSP90AA1NOS3NOS1CYP2C19

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 14 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
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-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-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-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
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
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 8/4885NOS3 4287/4885
US-20210363154-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME HSP90AB2P, HSF1, HSPH1 HSP90AB1 4/4885HSP90AA1 7/4885NOS3 4509/4885
US-10336768-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AB1 5/4885HSP90AA1 8/4885NOS3 4287/4885
US-10961254-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AB1 5/4885HSP90AA1 8/4885NOS3 4287/4885

“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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