SCHEMBL3668583

SCHEMBL3668583

CCCCCc1nc(Cl)c2cc(Cl)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 1/20 0.48
ADORA3 P0DMS8 4/20 0.43
PDE10A Q9Y233 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EIF4A1 P60842 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL4413557 0.89 KDM4E (0.48) KDM4EMAPK1ADORA3PDE10AMEN1
SCHEMBL790531 0.81 MAPT (0.47) KDM4EALDH1A1HPGDMAPTPDE4A
SCHEMBL5029528 0.81 PIK3CD (0.49) KDM4EMAPK1ADORA3PDE10AALDH1A1
SCHEMBL7416806 0.78 NMT2 (0.48) KDM4EADORA3ALDH1A1EIF4A1PDE4A
SCHEMBL5029517 0.77 MCHR1 (0.39) ADORA3CNR1CNR2EIF4A1PDE4A
SCHEMBL9266044 0.77 KDM4E (0.44) KDM4EMAPK1PDE10AKMT2AALDH1A1
SCHEMBL7835433 0.76 PDE4A (0.49) KDM4EADORA3MEN1KMT2AALDH1A1
SCHEMBL27856548 0.75 EIF4A1 (0.50) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL14189315 0.75 MPO (0.49) KDM4EMAPK1ADORA3PDE10AMEN1
SCHEMBL4416515 0.74 KDM4E (0.43) KDM4EMAPK1ADORA3PDE10AMEN1

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
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US disclosed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US disclosed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP disclosed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP disclosed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 US disclosed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 WO 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 (3 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-20060142313-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 KDM4E 1157/4885MAPK1 246/4885ADORA3 3533/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A KDM4E 960/4885MAPK1 720/4885ADORA3 1253/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 KDM4E 1157/4885MAPK1 246/4885ADORA3 3533/4885

“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.