SCHEMBL10004555

SCHEMBL10004555

Cc1nc2c(c(OCC(F)(F)F)c(C(=O)O)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PLA2G1B P04054 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ EIF4EBP1 Q13541 2/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 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
SCHEMBL10004766 0.93 NPSR1 (0.42) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL10004019 0.91 KMT2A (0.51) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL10003653 0.90 KMT2A (0.47) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL10004100 0.90 ALDH1A1 (0.44) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL10004728 0.89 ALDH1A1 (0.45) KMT2AALDH1A1MEN1GAAHTT
SCHEMBL10004150 0.87 NPSR1 (0.44) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL10004560 0.85 TDP1 (0.48) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL10004584 0.85 BLM (0.48) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL10004065 0.84 KMT2A (0.43) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL10004193 0.82 SMO (0.55) KMT2AMAPTALDH1A1MEN1KDM4E

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 KMT2A 423/4885MAPT 4783/4885ALDH1A1 321/4885

“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.

Send feedback