SCHEMBL17336036

SCHEMBL17336036

COc1cc(-c2nc(N)nc3c2CCC3)c(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ ACHE P22303 8/20 0.41
▸ TUBB3 Q13509 1/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ HSP90AB1 P08238 2/20 0.40
▸ DHFR P00374 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ BCHE P06276 5/20 0.37
▸ GRIN1 Q05586 4/20 0.37
▸ GRIN2A Q12879 4/20 0.37
▸ GRIN2B Q13224 3/20 0.37
▸ MAPK1 P28482 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ USP2 O75604 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
SCHEMBL17349442 0.89 HSP90AA1 (0.51) HRH2HRH3ACHETUBB3HSP90AA1
SCHEMBL23153291 0.78 HRH3 (0.45) HRH2HRH3HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL17336023 0.74 HSP90AB1 (0.50) HRH2HRH3HSP90AA1HSP90AB1DHFR
SCHEMBL23153321 0.74 HSP90AA1 (0.39) HSP90AA1HSP90AB1KDM4EALDH1A1MAPK1
SCHEMBL23153320 0.72 HSP90AA1 (0.40) HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL17349976 0.72 HSP90AB1 (0.42) HRH2HRH3TUBB3HSP90AA1HSP90AB1
SCHEMBL17349447 0.71 HSP90AA1 (0.39) HSP90AA1HSP90AB1DHFRALDH1A1SMN1; SMN2
SCHEMBL17349451 0.70 HSP90AA1 (0.38) TUBB3HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL5258743 0.69 NPC1 (0.67) TUBB3ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1425982 0.69 HSP90AA1 (0.40) HRH2HRH3HSP90AA1HSP90AB1ALDH1A1

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 HRH2 140/4885HRH3 780/4885ACHE 2561/4885
US-20210363154-A1 PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME HSP90AB2P, HSF1, HSPH1 HRH2 39/4885HRH3 218/4885ACHE 2172/4885
US-10336768-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HRH2 140/4885HRH3 780/4885ACHE 2561/4885
US-10961254-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HRH2 140/4885HRH3 780/4885ACHE 2561/4885

“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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