SCHEMBL10003789

SCHEMBL10003789

CCc1nc2c(cc1NC(=O)c1cccs1)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SRPK1 Q96SB4 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TRPA1 O75762 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL10002880 0.91 TSHR (0.47) ALDH1A1MAPTSRPK1LMNATSHR
SCHEMBL10003959 0.87 KMT2A (0.33) TRPA1KMT2A
SCHEMBL10003404 0.87 HTT (0.40) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL10003368 0.85 SNCA (0.33) TSHRTRPA1RAB9AMAPK1
SCHEMBL10003652 0.85 MAPT (0.44) ALDH1A1MAPTLMNATSHRNPC1
SCHEMBL10004202 0.85 ELANE (0.33) MAPTTRPA1NPC1RAB9AHPGD
SCHEMBL10003839 0.84 MAPT (0.41) ALDH1A1MAPTSRPK1LMNANPC1
SCHEMBL10003294 0.84 SMO (0.50) ALDH1A1MAPTSRPK1KDM4EMEN1
SCHEMBL10002857 0.84 L3MBTL1 (0.44) ALDH1A1LMNAKDM4EL3MBTL1MEN1
SCHEMBL10004018 0.83 ALDH1A1 (0.41) ALDH1A1MAPTLMNATSHRTRPA1

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 ALDH1A1 321/4885MAPT 4783/4885SRPK1 1347/4885

“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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