SCHEMBL2717446

SCHEMBL2717446

C=CCn1cnc(C(=O)c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.41
▸ ANXA2 P07355 2/20 0.39
▸ S100A10 P60903 2/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ VNN1 O95497 2/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ TEAD1 P28347 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NR4A1 P22736 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35
▸ TGM2 P21980 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
SCHEMBL2982666 0.78 SRD5A2 (0.42) SRD5A2ANXA2S100A10CES2CES1
SCHEMBL2720653 0.74 SRD5A2 (0.41) SRD5A2ANXA2S100A10CES2CES1
SCHEMBL2718721 0.74 LDHA (0.44) SRD5A2ANXA2S100A10CES2CES1
SCHEMBL5888591 0.68 LMNA (0.43) SRD5A2CES2CES1CNR2LMNA
SCHEMBL31487466 0.68 NOTUM (0.42) ALDH1A1LMNA
SCHEMBL22737094 0.68 HDAC1 (0.49) SRD5A2HDAC1HDAC6TGM2
SCHEMBL648641 0.66 SRD5A2 (0.83) SRD5A2CES2CES1PTPN1GSK3B
SCHEMBL7934173 0.65 PTPN1 (0.59) SRD5A2CES2CES1PTPN1GSK3B
Hydrochloric Acid SCHEMBL27733522 0.65 SRD5A2 (0.79) SRD5A2CES2CES1PTPN1CNR2
SCHEMBL22737095 0.64 HDAC1 (0.48) HDAC1HDAC6

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 9 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
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
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 — — US 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 SRD5A2 43/4885ANXA2 2753/4885S100A10 433/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 SRD5A2 43/4885ANXA2 2753/4885S100A10 433/4885

“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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