SCHEMBL4259787

SCHEMBL4259787

Nc1ccc(CN2CCC(F)(F)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.58
HRH3 Q9Y5N1 3/20 0.51
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CXCR3 P49682 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
OPRL1 P41146 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3400443 0.89 ALDH1A1 (0.53) ALDH1A1LMNAHRH3CXCR3CHRM2
SCHEMBL1507019 0.83 HRH3 (0.52) ALDH1A1HRH3SIGMAR1OPRL1KDM4E
SCHEMBL12160960 0.82 ALDH1A1 (0.54) ALDH1A1LMNAHRH3CYP3A4HSD17B10
SCHEMBL12281936 0.82 SIGMAR1 (0.55) ALDH1A1LMNAHRH3CYP3A4SIGMAR1
SCHEMBL10690328 0.82 LMNA (0.80) ALDH1A1LMNAHRH3SIGMAR1HRH4
SCHEMBL25567359 0.81 LMNA (0.62) ALDH1A1LMNAHRH3CYP3A4HSD17B10
SCHEMBL12373 0.81 ALDH1A1 (0.59) ALDH1A1LMNAHRH3SIGMAR1KDM4E
SCHEMBL1930027 0.81 ALDH1A1 (0.58) ALDH1A1LMNAHRH3CYP3A4HSD17B10
SCHEMBL17284220 0.81 ALDH1A1 (0.55) ALDH1A1LMNAHRH3CYP3A4CHRM2
SCHEMBL2918565 0.81 SIGMAR1 (0.65) ALDH1A1LMNACYP3A4HSD17B10SIGMAR1

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 26 patents — showing the first 20. 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-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 WO claimed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
EP-3755696-B1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF BIOSPLICE THERAPEUTICS INC (US) 2023-04-05 EP disclosed
US-20220402921-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2022-12-22 US disclosed
US-20220402921-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2022-12-22 US disclosed
WO-2019165192-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-08-29 WO disclosed
WO-2019165192-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-08-29 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
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 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 (6 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-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L ALDH1A1 393/4885LMNA 1143/4885HRH3 1679/4885
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 ALDH1A1 2543/4885LMNA 2852/4885HRH3 2500/4885
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof DYRK1A, WNT3, DYRK3 ALDH1A1 3709/4885LMNA 2378/4885HRH3 1266/4885
US-20220402921-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, DYRK3 ALDH1A1 3709/4885LMNA 2378/4885HRH3 1266/4885
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 924/4885LMNA 3244/4885HRH3 1681/4885
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 ALDH1A1 2543/4885LMNA 2852/4885HRH3 2500/4885

“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.