SCHEMBL2894087

SCHEMBL2894087

CCOc1cc(CN)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ATM Q13315 1/20 0.55
CALM1 P0DP23 3/20 0.53
CA2 P00918 1/20 0.52
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CSNK2A1 P68400 1/20 0.47
CYP19A1 P11511 1/20 0.47

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
SCHEMBL5708146 0.93 CALM1 (0.61) KDM4EATMCALM1CA2MAPT
Hydrochloric Acid SCHEMBL5708154 0.91 KDM4E (0.64) KDM4EATMCALM1CA2MAPT
SCHEMBL5240461 0.90 CSNK2A1 (0.51) KDM4ECALM1MAPTGAAPDE4A
SCHEMBL19409880 0.86 ATM (0.70) KDM4EATMCA2GAAMAPK1
SCHEMBL44393 0.86 ATM (0.70) KDM4EATMCA2GAAMAPK1
SCHEMBL29535675 0.86 ATM (0.70) KDM4EATMCA2GAAMAPK1
SCHEMBL9651465 0.86 CSNK2A1 (0.66) KDM4EATMCA2CSNK2A1
SCHEMBL1223578 0.86 KDM4E (0.77) KDM4EATMCALM1CA2MAPT
SCHEMBL11030253 0.85 CALM1 (0.56) KDM4EATMCALM1CA2MAPT
Hydrochloric Acid SCHEMBL9726411 0.84 CSNK2A1 (0.67) KDM4EATMCA2MAPTGAA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200377481-A1 SUBSTITUTED 4-(1-PYRROLIDINYL)PYRIMIDINE COMPOUNDS AS DIMERIZATION INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2020-12-03 US disclosed
WO-2017214286-A1 SUBSTITUTED 4-(1-PYRROLIDINYL)PYRIMIDINE COMPOUNDS AS DIMERIZATION INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2017-12-14 WO disclosed
US-9642836-B2 Isotopologues of isoindole derivatives CELGENE CORPORATION (US) 2017-05-09 US disclosed
US-9642836-B2 Isotopologues of isoindole derivatives CELGENE CORPORATION (US) 2017-05-09 US disclosed
US-20150258063-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES AMGEN INC. 2015-09-17 US disclosed
US-20150258063-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES AMGEN INC. 2015-09-17 US disclosed
US-9045417-B2 Isotopologues of isoindole derivatives CELGENE CORPORATION (US) 2015-06-02 US disclosed
US-9045417-B2 Isotopologues of isoindole derivatives CELGENE CORPORATION (US) 2015-06-02 US disclosed
US-20140194485-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES CELGENE CORPORATION (US) 2014-07-10 US disclosed
US-20140194485-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES CELGENE CORPORATION (US) 2014-07-10 US disclosed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 US disclosed
EP-1697356-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
WO-2005061497-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-07-07 WO disclosed
EP-1307193-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY Affymax Research Institute (US) 2003-05-07 EP disclosed
EP-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP disclosed
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 US disclosed
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
WO-2002009706-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2002-02-07 WO disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 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 (5 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-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase PDE3A, PDE2A, PDE5A KDM4E 2029/4885ATM 387/4885CALM1 1233/4885
US-20200377481-A1 SUBSTITUTED 4-(1-PYRROLIDINYL)PYRIMIDINE COMPOUNDS AS DIMERIZATION INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NOS1, NOS3, NOS2 KDM4E 4010/4885ATM 2683/4885CALM1 806/4885
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PDE12, PDE2A, PDE3A KDM4E 1063/4885ATM 2066/4885CALM1 2680/4885
US-20140194485-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES IDO1, CYP11B2, IDO2 KDM4E 2562/4885ATM 2240/4885CALM1 3941/4885
US-20150258063-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES IDO1, CYP11B2, IDO2 KDM4E 2562/4885ATM 2240/4885CALM1 3941/4885

“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.