SCHEMBL17349451

SCHEMBL17349451

COc1cc(-c2nc(N)nc3ccn(C)c23)c(Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 8/20 0.38
▸ HSP90AB1 P08238 7/20 0.38
▸ ADORA2A P29274 2/20 0.36
▸ TLR7 Q9NYK1 1/20 0.34
▸ ADORA1 P30542 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32
▸ TUBA3E Q6PEY2 1/20 0.32
▸ TUBA1A Q71U36 1/20 0.32
▸ TUBA1C Q9BQE3 1/20 0.32
▸ TUBB6 Q9BUF5 1/20 0.32
▸ TUBB2B Q9BVA1 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
SCHEMBL23153321 0.79 HSP90AA1 (0.39) HSP90AA1HSP90AB1KDM4EALDH1A1HRH4
SCHEMBL17349447 0.76 HSP90AA1 (0.39) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL24055078 0.75 HSP90AB1 (0.49) HSP90AA1HSP90AB1ADORA2ATLR7ADORA1
SCHEMBL17336036 0.70 HRH2 (0.46) HSP90AA1HSP90AB1TUBB3KDM4EALDH1A1
SCHEMBL23153320 0.68 HSP90AA1 (0.40) HSP90AA1HSP90AB1ADORA2AADORA1KDM4E
SCHEMBL23153291 0.67 HRH3 (0.45) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL1877568 0.65 HSP90AB1 (0.50) HSP90AA1HSP90AB1ADORA2AKDM4EALDH1A1
SCHEMBL5258743 0.65 NPC1 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24198075 0.65 CCNT1 (0.40) —
SCHEMBL17336011 0.64 HSP90AA1 (0.50) HSP90AA1HSP90AB1ADORA2AADORA1

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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