SCHEMBL2717177

SCHEMBL2717177

O=C(c1ccc(C(F)(F)F)nc1)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.36

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
SCHEMBL2719473 0.82 SRD5A2 (0.46) —
SCHEMBL10622534 0.78 ALDH1A1 (0.45) LDHA
SCHEMBL27662263 0.77 TP53 (0.41) LDHA
SCHEMBL14033844 0.75 SRD5A2 (0.49) —
SCHEMBL15135562 0.75 CYP2C8 (0.47) —
SCHEMBL6140597 0.73 TRPV4 (0.52) —
SCHEMBL9324010 0.70 TP53 (0.44) LDHA
SCHEMBL15135555 0.70 NPC1 (0.51) —
SCHEMBL29418677 0.69 L3MBTL1 (0.57) LDHA
SCHEMBL186213 0.69 L3MBTL1 (0.57) LDHA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 — — EP disclosed
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 — — EP disclosed
CN-100516041-C Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2009-07-22 — — CN disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 — — US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 — — US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 — — US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 — — US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 — — US disclosed
CN-1849303-A Novel heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO (JP) 2006-10-18 — — CN disclosed
US-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 — — US disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 — — EP 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 (2 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-20060194857-A1 Novel heteroaryl derivative NR0B1, UGT1A10, NR0B2 LDHA 3118/4885ITK 4751/4885BAZ2B 474/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 LDHA 3118/4885ITK 4751/4885BAZ2B 474/4885

“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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