SCHEMBL17087490

SCHEMBL17087490

CCn1c(CNCCCCCC(=O)OC)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.40
▸ PIK3CA P42336 4/20 0.37
▸ PIK3R1 P27986 3/20 0.37
▸ P2RX3 P56373 2/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MTOR P42345 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PAOX Q6QHF9 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
SCHEMBL20496957 0.91 HDAC1 (0.41) HDAC1PIK3CAPIK3R1P2RX3HDAC2
SCHEMBL17087486 0.83 PIK3CA (0.58) HDAC1PIK3CAPIK3R1HDAC2MTOR
SCHEMBL17078411 0.78 CYP3A4 (0.44) HDAC1PIK3CAPIK3R1CYP3A4SMN1; SMN2
SCHEMBL2396728 0.75 CYP3A4 (0.45) HDAC1PIK3CAPIK3R1CYP3A4MTOR
SCHEMBL16542529 0.74 HDAC1 (0.35) HDAC1PIK3CAPIK3R1CYP3A4SMN1; SMN2
SCHEMBL17087371 0.73 HDAC1 (0.63) HDAC1PIK3CAPIK3R1HDAC2MTOR
SCHEMBL2396926 0.73 CYP3A4 (0.45) HDAC1PIK3CAPIK3R1CYP3A4SMN1; SMN2
SCHEMBL1284135 0.73 PIK3CA (0.44) HDAC1PIK3CAPIK3R1HDAC2MTOR
SCHEMBL2396757 0.72 CYP3A4 (0.46) HDAC1P2RX3CYP3A4PIK3CDSMN1; SMN2
SCHEMBL25232616 0.71 PIK3CD (0.44) HDAC1PIK3CAPIK3R1P2RX3CYP3A4

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
US-9957270-B2 Fused pyrimidine-based hydroxamate derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-01 — — US disclosed
US-9957270-B2 Fused pyrimidine-based hydroxamate derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-01 — — US disclosed
US-9957270-B2 Fused pyrimidine-based hydroxamate derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-01 — — US disclosed
US-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-02-16 — — US disclosed
US-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-02-16 — — US disclosed
US-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-02-16 — — US disclosed
WO-2015137887-A1 FUSED PYRIMIDINE-BASED HYDROXAMATE DERIVATIVES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 — — 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 (1 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-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives HDAC1, HDAC2, HDAC5 HDAC1 1/4885PIK3CA 301/4885PIK3R1 934/4885

“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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