SCHEMBL4275131

SCHEMBL4275131

Nc1ccc(CN2CCCC(F)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ HRH3 Q9Y5N1 7/20 0.53
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2D6 P10635 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ROCK2 O75116 1/20 0.45
▸ CCR2 P41597 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ LTA4H P09960 1/20 0.44
▸ GBA1 P04062 1/20 0.42

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
SCHEMBL82397 0.84 HRH3 (0.53) ALDH1A1HRH3LMNA
SCHEMBL4931173 0.83 CYP2D6 (0.66) ALDH1A1HRH3CYP2D6CYP1A2CYP3A4
SCHEMBL15647988 0.83 CYP2D6 (0.66) ALDH1A1HRH3CYP2D6CYP1A2CYP3A4
SCHEMBL20803941 0.83 BCHE (0.51) ALDH1A1HRH3GAACYP2D6CYP1A2
SCHEMBL17284215 0.83 ALDH1A1 (0.55) ALDH1A1HRH3LMNACYP3A4GBA1
SCHEMBL4267786 0.81 ALDH1A1 (0.63) ALDH1A1HRH3LMNALTA4H
SCHEMBL4275127 0.81 GAA (0.54) HRH3GAA
SCHEMBL24460758 0.81 ALDH1A1 (0.59) ALDH1A1HRH3LMNAGAACYP2D6
SCHEMBL1955800 0.81 ALDH1A1 (0.71) ALDH1A1LMNAGAACYP2D6CYP1A2
SCHEMBL6189062 0.81 ALDH1A1 (0.59) ALDH1A1HRH3LMNAGAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 — — US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 — — US claimed
WO-2009152027-A1 5,7-DIHYDRO-6H-PYRROLO[2,3-D]PYRIMIDIN-6-ONE DERIVATIVES FOR MARK INHIBITION MERCK & CO., INC. (US) 2009-12-17 — — WO disclosed
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 — — US disclosed
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS CONNOLLY PETER J 2008-12-04 — — US disclosed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 — — US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 — — US disclosed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 — — US disclosed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 — — 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-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 ALDH1A1 2543/4885HRH3 2500/4885LMNA 2852/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 ALDH1A1 924/4885HRH3 1681/4885LMNA 3244/4885
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 ALDH1A1 2543/4885HRH3 2500/4885LMNA 2852/4885

“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.

Send feedback