SCHEMBL17491395

SCHEMBL17491395

COCC(=O)Nc1cc(-c2cnco2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CYP2C19 P33261 1/20 0.45
▸ PORCN Q9H237 1/20 0.44
▸ IMPDH2 P12268 6/20 0.43
▸ AAK1 Q2M2I8 4/20 0.42
▸ KDR P35968 2/20 0.41
▸ IMPDH1 P20839 3/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ FGFR1 P11362 1/20 0.40

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
SCHEMBL17491527 0.85 LMNA (0.46) CYP2C19IMPDH2AAK1KDRIMPDH1
SCHEMBL17491494 0.85 ALDH1A1 (0.46) IMPDH2AAK1KDRIMPDH1HDAC3
SCHEMBL17491488 0.85 EGFR (0.42) PORCNIMPDH2AAK1KDRIMPDH1
SCHEMBL17491394 0.84 ALDH1A1 (0.49) IMPDH2AAK1KDRIMPDH1EGFR
SCHEMBL17491415 0.83 BRAF (0.47) IMPDH2KDRIMPDH1EGFRFGFR1
SCHEMBL17506981 0.82 AAK1 (0.52) PORCNIMPDH2AAK1KDRIMPDH1
SCHEMBL17491518 0.81 AAK1 (0.46) SMN1; SMN2IMPDH2AAK1KDRIMPDH1
SCHEMBL17491450 0.80 IMPDH2 (0.46) SMN1; SMN2IMPDH2AAK1KDREGFR
SCHEMBL17491408 0.79 EGFR (0.43) IMPDH2AAK1KDRIMPDH1EGFR
SCHEMBL17491508 0.79 RORA (0.43) PORCNIMPDH2AAK1KDRIMPDH1

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-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 — — EP disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-20160052897-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-25 — — US disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — 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-20160052897-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 SMN1; SMN2 23/4885CYP2C19 165/4885PORCN 4296/4885

“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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