SCHEMBL10003385

SCHEMBL10003385

CCc1nc2c(nc1NC(=O)c1ccc(F)cc1)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ RAB9A P51151 5/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ P4HTM Q9NXG6 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL10002910 0.92 BRPF1 (0.40) TMIGD3KMT2ALMNARAB9ANPC1
SCHEMBL10003447 0.91 KDM4E (0.43) KMT2ALMNAMEN1KDM4EALDH1A1
SCHEMBL10003457 0.83 KMT2A (0.38) KMT2ALMNARAB9ANPC1MEN1
SCHEMBL10003387 0.83 NPC1 (0.40) TMIGD3KMT2ALMNARAB9ANPC1
SCHEMBL10003034 0.83 HTT (0.44) KMT2ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10004654 0.82 GRIA2 (0.37) ADORA3
SCHEMBL10003280 0.79 P2RX3 (0.44) TMIGD3KMT2ALMNARAB9ANPC1
SCHEMBL10003290 0.78 P2RX3 (0.35) TMIGD3KMT2ALMNARAB9ANPC1
SCHEMBL10003179 0.75 SMO (0.44) KMT2AMEN1KDM4EALDH1A1
SCHEMBL10003487 0.75 LMNA (0.48) LMNASMN1; SMN2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH TMIGD3 1925/4885KMT2A 423/4885LMNA 4452/4885

“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