SCHEMBL5092012

SCHEMBL5092012

NCCCCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
TBXAS1 P24557 16/20 0.51
TBXA2R P21731 1/20 0.49

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
SCHEMBL11680510 0.85 SIGMAR1 (0.47) SIGMAR1TBXAS1
SCHEMBL8216126 0.82 SIGMAR1 (0.53) SIGMAR1TBXAS1TBXA2R
SCHEMBL9092744 0.80 SIGMAR1 (0.53) SIGMAR1TBXAS1TBXA2R
SCHEMBL9882949 0.80 SIGMAR1 (0.51) SIGMAR1TBXAS1TBXA2R
SCHEMBL8094515 0.80 SIGMAR1 (0.53) SIGMAR1TBXAS1TBXA2R
SCHEMBL28304994 0.79 TBXAS1 (0.63) SIGMAR1TBXAS1TBXA2R
SCHEMBL11229130 0.78 TBXAS1 (0.54) SIGMAR1TBXAS1
SCHEMBL1807584 0.78 TBXAS1 (0.54) SIGMAR1TBXAS1TBXA2R
SCHEMBL11792681 0.78 TBXAS1 (0.54) SIGMAR1TBXAS1
SCHEMBL6996489 0.78 SIGMAR1 (0.54) SIGMAR1TBXAS1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
EP-2642987-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS Faes Farma, S.A. (ES) 2013-10-02 EP disclosed
EP-2465498-A1 Diphenyl-amine derivatives: uses, process of synthesis and pharmaceutical compositions FAES FARMA, S.A. (ES) 2012-06-20 EP disclosed
EP-2465498-A1 Diphenyl-amine derivatives: uses, process of synthesis and pharmaceutical compositions FAES FARMA, S.A. (ES) 2012-06-20 EP disclosed
WO-2012069442-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2012-05-31 WO disclosed
WO-2012069442-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2012-05-31 WO disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP disclosed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 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-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CYP2D6, DDC, PAH SIGMAR1 1329/4885TBXAS1 517/4885TBXA2R 478/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SIGMAR1 4550/4885TBXAS1 3071/4885TBXA2R 2801/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK SIGMAR1 4764/4885TBXAS1 1704/4885TBXA2R 1724/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SIGMAR1 4550/4885TBXAS1 3071/4885TBXA2R 2801/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SIGMAR1 4627/4885TBXAS1 2660/4885TBXA2R 2552/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SIGMAR1 4627/4885TBXAS1 2660/4885TBXA2R 2552/4885

“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.