SCHEMBL10004565

SCHEMBL10004565

CCOC(=O)c1c(OCC(F)(F)F)c2c(=O)n(Cc3cccc(OC)c3)c(C)nc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ PCSK9 Q8NBP7 5/20 0.41
▸ TSHR P16473 4/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ CYP2C9 P11712 4/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ USP2 O75604 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL10004728 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2APCSK9
SCHEMBL10004174 0.90 LMNA (0.44) ALDH1A1MEN1KMT2APOLBPCSK9
SCHEMBL10004629 0.90 PDE1A (0.46) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL10004065 0.90 KMT2A (0.43) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL10004019 0.89 KMT2A (0.51) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL10004316 0.85 KDM4E (0.52) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL10004501 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL10004255 0.84 CMA1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL10003752 0.84 MAPT (0.47) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL1063653 0.84 SMO (0.46) ALDH1A1KMT2APOLBHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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 (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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH ALDH1A1 321/4885SMN1; SMN2 3164/4885MEN1 335/4885

“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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