SCHEMBL10004694

SCHEMBL10004694

CC(C)Oc1c(C(=O)NC2CCN(C(=O)CO)CC2)n(C)c2nc(C(C)C)n(Cc3cccc(Cl)c3)c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.43
▸ SMO Q99835 1/20 0.42
▸ DRD4 P21917 2/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ EPHX2 P34913 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
SCHEMBL10003864 0.91 SMO (0.44) F10SMODRD4KMT2AUSP2
SCHEMBL10004476 0.85 SMO (0.43) SMODRD4TSHRLMNASMN1; SMN2
SCHEMBL10004852 0.83 SMO (0.56) SMO
SCHEMBL10004193 0.82 SMO (0.55) F10SMODRD4KMT2AHPGD
SCHEMBL10004597 0.81 F10 (0.42) F10DRD4KMT2AUSP2HPGD
SCHEMBL10004712 0.81 SMO (0.54) F10SMODRD4KMT2APOLB
SCHEMBL10004260 0.81 SMO (0.57) F10SMODRD4KMT2ATSHR
SCHEMBL10004880 0.80 SMO (0.55) F10SMODRD4KMT2AHPGD
SCHEMBL10003800 0.80 SMO (0.44) SMOKMT2APOLB
SCHEMBL10004234 0.78 KMT2A (0.50) KMT2AHPGDLMNASMN1; SMN2POLB

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 6 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

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 3388/4885SMO 1/4885DRD4 3540/4885

“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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