SCHEMBL16844047

SCHEMBL16844047

CSc1ccc(-c2ccc(C#N)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ KIF11 P52732 3/20 0.41
▸ CYP11B2 P19099 3/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CFTR P13569 1/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ NSD2 O96028 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ MAOA P21397 4/20 0.37
▸ MAOB P27338 4/20 0.37

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
SCHEMBL16841035 0.83 MAOB (0.43) PDE3BPDE3AKIF11PTGS1NSD2
SCHEMBL16844139 0.81 PDE3B (0.42) PDE3BPDE3AKIF11NSD2RORC
SCHEMBL16844140 0.80 PDE3B (0.43) PDE3BPDE3AKIF11PTGS1NSD2
SCHEMBL397141 0.79 KIF11 (0.61) PDE3BPDE3AKIF11CYP11B2CYP11B1
SCHEMBL27806612 0.79 KIF11 (0.51) PDE3BPDE3AKIF11CYP11B2CYP11B1
SCHEMBL15613479 0.79 MAOA (0.41) PDE3BPDE3AKIF11PTGS1NSD2
SCHEMBL17857763 0.79 PDE3B (0.38) PDE3BPDE3AKIF11CYP11B2PTGS1
SCHEMBL11018902 0.78 CYP1A1 (0.45) CFTRNSD2MAOAMAOB
SCHEMBL91880 0.78 ALDH1A1 (0.52) PDE3BPDE3AKIF11CYP11B2PTGS1
SCHEMBL16841030 0.77 RORC (0.43) PDE3BPDE3AKIF11RORCMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071668-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-07-18 — — EP disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 — — US disclosed
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 — — US disclosed
US-9758727-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2017-09-12 — — US disclosed
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-07-27 — — US disclosed
US-9644144-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2017-05-09 — — US disclosed
US-20170002268-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-01-05 — — US disclosed
US-20160289561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-10-06 — — US disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 — — US disclosed
US-20160222293-A1 MESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-04 — — US disclosed
WO-2016107664-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-07-07 — — WO disclosed
WO-2016096081-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-06-23 — — WO disclosed
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-30 — — US disclosed
US-20150203756-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-23 — — US disclosed
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-23 — — US disclosed
US-20150175883-A1 Bimesogenic Compounds and Mesogenic Media MERCK PATENT GMBH (DE) 2015-06-25 — — US 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 (10 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-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MTX1, NEFM, MTX2 PDE3B 1993/4885PDE3A 1715/4885KIF11 512/4885
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 PDE3B 4695/4885PDE3A 4738/4885KIF11 30/4885
US-20150175883-A1 Bimesogenic Compounds and Mesogenic Media SP1, FOXM1, S100A11 PDE3B 4695/4885PDE3A 4738/4885KIF11 30/4885
US-20150203756-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 PDE3B 4695/4885PDE3A 4738/4885KIF11 30/4885
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 PDE3B 4695/4885PDE3A 4738/4885KIF11 30/4885
US-20160289561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 PDE3B 4686/4885PDE3A 4680/4885KIF11 33/4885
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 PDE3B 4695/4885PDE3A 4738/4885KIF11 30/4885
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 PDE3B 3957/4885PDE3A 4035/4885KIF11 50/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 PDE3B 4695/4885PDE3A 4738/4885KIF11 30/4885
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 PDE3B 4695/4885PDE3A 4738/4885KIF11 30/4885

“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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