SCHEMBL17744404

SCHEMBL17744404

CC1CNCCN1c1nc2cc(C(F)(F)F)cc(-c3nccs3)c2o1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ HTR2C P28335 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ SPAST Q9UBP0 1/20 0.32
▸ LATS1 O95835 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ GSK3B P49841 4/20 0.31
▸ P2RX7 Q99572 1/20 0.30
▸ PRKCZ Q05513 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ ATR Q13535 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ ZAP70 P43403 1/20 0.30
▸ SYK P43405 1/20 0.30

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
SCHEMBL16391626 1.00 ESR1 (0.36) ESR1ESR2ROCK2ROCK1HTR2C
SCHEMBL17744358 0.89 ESR1 (0.38) ESR1ESR2ROCK2ROCK1HTR2C
SCHEMBL16391478 0.89 ESR1 (0.38) ESR1ESR2ROCK2ROCK1HTR2C
SCHEMBL16391490 0.87 ESR1 (0.38) ESR1ESR2ROCK2ROCK1LATS1
SCHEMBL17744312 0.87 ESR1 (0.38) ESR1ESR2ROCK2ROCK1LATS1
SCHEMBL16391438 0.86 ESR1 (0.37) ESR1ESR2ROCK2ROCK1HTR2C
SCHEMBL17744343 0.86 ESR1 (0.37) ESR1ESR2ROCK2ROCK1HTR2C
SCHEMBL17744438 0.84 ESR1 (0.36) ESR1ESR2ROCK2ROCK1HTR2C
SCHEMBL16391448 0.84 ESR1 (0.36) ESR1ESR2ROCK2ROCK1HTR2C
SCHEMBL16391553 0.83 HTR2C (0.33) ROCK2ROCK1HTR2CHTR2AHTR2B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020718-B1 NOVEL PDE4 INHIBITOR MEIJI SEIKA PHARMA CO LTD (JP) 2018-12-26 — — EP claimed
US-9890142-B2 PDE4 inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-02-13 — — US claimed
US-9850235-B2 — — 2017-12-26 — — US claimed
US-20160159783-A1 PDE4 Inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-06-09 — — US claimed
EP-3020718-A1 NOVEL PDE4 INHIBITOR Meiji Seika Pharma Co., Ltd. (JP) 2016-05-18 — — EP claimed
CN-105431427-A Novel PDE4 inhibitor MEIJI SEIKA PHARMA CO LTD 2016-03-23 — — CN claimed
EP-3020718-B1 NOVEL PDE4 INHIBITOR MEIJI SEIKA PHARMA CO LTD (JP) 2018-12-26 — — EP disclosed
US-9890142-B2 PDE4 inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-02-13 — — US disclosed
US-9850235-B2 — — 2017-12-26 — — US disclosed
US-20160159783-A1 PDE4 Inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-06-09 — — US disclosed
EP-3020718-A1 NOVEL PDE4 INHIBITOR Meiji Seika Pharma Co., Ltd. (JP) 2016-05-18 — — EP disclosed
CN-105431427-A Novel PDE4 inhibitor MEIJI SEIKA PHARMA CO LTD 2016-03-23 — — CN 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-20160159783-A1 PDE4 Inhibitor PDE4A, PDE4B, PDE3B ESR1 3756/4885ESR2 3137/4885ROCK2 125/4885

“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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