SCHEMBL10003518

SCHEMBL10003518

CCc1nc2c(cc1Nc1ccc(Cl)cc1)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.38
▸ TNNI3K Q59H18 1/20 0.36
▸ EHMT2 Q96KQ7 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ BCL6 P41182 3/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ PSD A5PKW4 1/20 0.33

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
SCHEMBL10003245 0.92 MEN1 (0.38) IDO1TDO2MEN1KMT2AMAPT
SCHEMBL10003284 0.90 ALK (0.38) EHMT2MEN1KMT2AMAPTLMNA
SCHEMBL10003818 0.90 MEN1 (0.38) MEN1KMT2AMAPTLMNAAKR1C3
SCHEMBL10003601 0.90 ATM (0.39) IDO1TDO2MEN1KMT2APOLB
SCHEMBL10003167 0.88 F10 (0.40) RORCMEN1KMT2AMAPTLMNA
SCHEMBL10003155 0.87 P2RX7 (0.37) RORCMEN1KMT2AMAPTLMNA
SCHEMBL10003604 0.84 AKR1C3 (0.41) MEN1KMT2AAKR1C3AKR1C2
SCHEMBL10003970 0.84 GRIA2 (0.37) RORCMEN1KMT2AMAPTLMNA
SCHEMBL10003159 0.83 CDC25B (0.44) MEN1KMT2AMAPT
SCHEMBL10003992 0.83 CNR2 (0.39) MEN1KMT2AMAPTAKR1C3AKR1C2

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 RORC 44/4885TNNI3K 2900/4885EHMT2 436/4885

“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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