SCHEMBL10003398

SCHEMBL10003398

Cc1nc2c(cc1NC(=O)c1ccc(F)cc1)c(OC(C)C)c(C(=O)NC1CCN(C(=O)CO)CC1)n2C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ CCR8 P51685 1/20 0.38
▸ SMO Q99835 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ KDM5A P29375 1/20 0.37

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
SCHEMBL10003104 0.92 SMO (0.43) KMT2AMEN1CCR8SMO
SCHEMBL10003194 0.92 SMO (0.40) USP2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10003793 0.88 SMO (0.49) USP2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10003901 0.85 SMO (0.44) USP2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL12825028 0.85 TSHR (0.41) USP2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10003576 0.84 SMO (0.46) KMT2AMEN1POLBCCR8SMO
SCHEMBL10003025 0.83 SMO (0.43) USP2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL12015439 0.82 SMO (0.42) USP2TSHRSMN1; SMN2KMT2ASMO
SCHEMBL10003416 0.81 SMO (0.56) KMT2AMEN1CCR8SMO
SCHEMBL10003705 0.81 SMO (0.39) USP2TSHRSMN1; SMN2KMT2AMEN1

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 9 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-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-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
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — 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 USP2 3931/4885TSHR 2374/4885SMN1; SMN2 3164/4885

“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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