SCHEMBL10004597

SCHEMBL10004597

CCc1nc2c(c(OC(C)C)c(C(=O)NC3CCC(O)CC3)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PTGES O14684 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ BRD4 O60885 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ DRD4 P21917 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MTHFD2 P13995 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL11990822 0.92 CXCR6 (0.40) F10KMT2ATSHRUSP2HPGD
SCHEMBL10003864 0.90 SMO (0.44) F10KMT2ATSHRUSP2HPGD
SCHEMBL10293228 0.89 KMT2A (0.40) F10KMT2ATSHRUSP2HPGD
SCHEMBL18117696 0.87 KMT2A (0.41) F10KMT2ATSHRHPGDPTGES
SCHEMBL10003686 0.85 PTGES (0.48) KMT2ATSHRHPGDPTGESPOLB
SCHEMBL10292520 0.85 KMT2A (0.40) F10KMT2ATSHRUSP2HPGD
SCHEMBL10004586 0.85 KMT2A (0.48) KMT2ATSHRHPGDPTGESPOLB
SCHEMBL11990823 0.85 KMT2A (0.42) KMT2ATSHRHPGDPTGESPOLB
SCHEMBL10292542 0.85 KMT2A (0.44) KMT2ATSHRHPGDPTGESPOLB
SCHEMBL10292459 0.84 CACNA1G (0.45) KMT2ATSHRPTGESPOLBALDH1A1

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 7 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
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — 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
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 F10 3388/4885KMT2A 423/4885TSHR 2374/4885

“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