SCHEMBL10002910

SCHEMBL10002910

CCc1nc2c(nc1NC(=O)c1ccccc1)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.40
▸ P2RX3 P56373 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ SENP8 Q96LD8 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
SCHEMBL10003034 0.92 HTT (0.44) BRPF1P2RX3KDM4EMAPTALDH1A1
SCHEMBL10003385 0.92 TMIGD3 (0.38) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL10003280 0.87 P2RX3 (0.44) BRPF1P2RX3KDM4EMAPTALDH1A1
SCHEMBL10003290 0.84 P2RX3 (0.35) P2RX3KDM4EMAPTALDH1A1MEN1
SCHEMBL10004164 0.82 BRPF1 (0.47) BRPF1KDM4EMAPTALDH1A1MEN1
SCHEMBL10003186 0.82 BRPF1 (0.44) BRPF1P2RX3KDM4EMAPTALDH1A1
SCHEMBL10003447 0.82 KDM4E (0.43) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL10003179 0.82 SMO (0.44) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL10003735 0.82 HTT (0.45) BRPF1P2RX3MAPTALDH1A1MEN1
SCHEMBL10003477 0.78 HTT (0.47) P2RX3KDM4EMAPTALDH1A1HTT

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 BRPF1 1937/4885P2RX3 3582/4885KDM4E 405/4885

“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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