SCHEMBL17744597

SCHEMBL17744597

COc1cccnc1-c1cc(Cl)cc2nc(N3CCNCC3C)oc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ ALK Q9UM73 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ PIM3 Q86V86 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ MET P08581 1/20 0.36
▸ BRPF1 P55201 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BRD1 O95696 1/20 0.35
▸ BRPF3 Q9ULD4 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ USP7 Q93009 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL16391295 1.00 CCNT1 (0.37) CCNT1CDK9ALKHTR2CPIM3
SCHEMBL16391325 0.88 USP7 (0.39) HTR2CHTR2AUSP7TRPV1
SCHEMBL17744225 0.88 USP7 (0.39) HTR2CHTR2AUSP7TRPV1
SCHEMBL17744250 0.88 TRPV1 (0.37) ALKHTR2CHTR2AMETUSP7
SCHEMBL16391321 0.88 TRPV1 (0.37) ALKHTR2CHTR2AMETUSP7
SCHEMBL16391293 0.85 HTR2C (0.35) HTR2CHTR2AUSP7TRPV1
SCHEMBL17744269 0.85 HTR2C (0.35) HTR2CHTR2AUSP7TRPV1
SCHEMBL17744236 0.84 HTR2C (0.38) HTR2CUSP7TRPV1
SCHEMBL16391457 0.84 HTR2C (0.38) HTR2CUSP7TRPV1
SCHEMBL17744245 0.83 HTR2C (0.37) ALKHTR2CHTR2AMETBRPF1

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 10 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
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

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 CCNT1 2827/4885CDK9 1343/4885ALK 1043/4885

“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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