SCHEMBL17349613

SCHEMBL17349613

COc1nc(N)nc(-c2cc(OC)c(Cl)cc2Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 7/20 0.58
▸ HSP90AB1 P08238 7/20 0.58
▸ NPC1 O15118 3/20 0.46
▸ RECQL P46063 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ HTR2B P41595 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ AGPAT2 O15120 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17349617 0.91 HSP90AA1 (0.65) HSP90AA1HSP90AB1NPC1RECQLALDH1A1
SCHEMBL10486105 0.84 HSP90AA1 (0.56) HSP90AA1HSP90AB1NPC1RECQLALDH1A1
SCHEMBL17349700 0.84 HSP90AA1 (0.57) HSP90AA1HSP90AB1NPC1RECQLALDH1A1
SCHEMBL18750344 0.84 HSP90AA1 (0.59) HSP90AA1HSP90AB1NPC1RECQLALDH1A1
SCHEMBL17349699 0.84 HSP90AA1 (0.57) HSP90AA1HSP90AB1NPC1RECQLALDH1A1
SCHEMBL17349606 0.82 HSP90AB1 (0.48) HSP90AA1HSP90AB1RECQLMEN1LMNA
SCHEMBL17349616 0.81 HSP90AA1 (0.56) HSP90AA1HSP90AB1NPC1RECQLALDH1A1
SCHEMBL17349497 0.75 HSP90AB1 (0.59) HSP90AA1HSP90AB1NPC1GAA
SCHEMBL30445496 0.75 HSP90AB1 (0.59) HSP90AA1HSP90AB1NPC1GAA
SCHEMBL3943444 0.74 HSP90AA1 (1.00) HSP90AA1HSP90AB1NPC1GAAAGPAT2

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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