SCHEMBL3147494

SCHEMBL3147494

[CH2]c1cccc2cnccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
LMNA P02545 4/20 0.59
CYP3A4 P08684 4/20 0.59
CYP2D6 P10635 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
MAPKAPK2 P49137 1/20 0.59
HTT P42858 2/20 0.53
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
KCNA3 P22001 1/20 0.42
IMPDH2 P12268 3/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
PRKD3 O94806 3/20 0.41
PRKCG P05129 3/20 0.41

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
SCHEMBL1771760 0.83 TNF (0.53) KDM4ELMNACYP3A4CYP2D6CYP1A2
SCHEMBL6240424 0.77 LMNA (0.63) KDM4ELMNACYP3A4CYP2D6CYP1A2
SCHEMBL7948611 0.76 KDM4E (0.61) KDM4ELMNACYP3A4CYP2D6CYP1A2
SCHEMBL4368137 0.74 KDM4E (0.59) KDM4ELMNACYP3A4CYP2D6CYP1A2
SCHEMBL3733003 0.74 KDM4E (0.59) KDM4ELMNACYP3A4CYP2D6CYP1A2
SCHEMBL12271 0.74 KDM4E (0.59) KDM4ELMNACYP3A4CYP2D6CYP1A2
SCHEMBL276518 0.74 KDM4E (1.00) KDM4ELMNACYP3A4CYP2D6CYP1A2
SCHEMBL3805113 0.74 CYP1A2 (0.59) KDM4ELMNACYP3A4CYP2D6CYP1A2
SCHEMBL4207818 0.74 KDM4E (0.59) KDM4ELMNACYP3A4CYP2D6CYP1A2
SCHEMBL276517 0.74 CYP3A4 (0.59) KDM4ELMNACYP3A4CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP claimed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US claimed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO claimed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 US claimed
CN-117062804-A 1, 3-substituted cyclobutyl derivatives and their use 诺华股份有限公司 2023-11-14 CN disclosed
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
CN-111771885-B Pest control composition comprising novel iminopyridine derivatives 株式会社MMAG 2022-05-17 CN disclosed
CN-112244015-B Pest control composition comprising novel iminopyridine derivatives 株式会社MMAG 2022-05-17 CN disclosed
US-20220000877-A1 AQUEOUS COMPOSITION, IN PARTICULAR FOR TREATING MUCOSA AND/OR WOUNDS B. BRAUN MELSUNGEN AG (DE) 2022-01-06 US disclosed
CN-1726199-A Novel 2,4-diamino-1,3,5-triazine derivative HAMARI CHEMICALS LTD (JP) 2006-01-25 CN disclosed
EP-1574503-A1 NOVEL 2,4-DIAMINO-1,3,5-TRIAZINE DERIVATIVE Hamari Chemicals Co., Ltd. (JP) 2005-09-14 EP disclosed
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia STUDOR S.A. (LU) 2004-12-02 US disclosed
EP-1431285-A1 REVERSE HYDROXAMIC ACID DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2004-06-23 EP disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP 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-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 KDM4E 2206/4885LMNA 4323/4885CYP3A4 363/4885
US-20220000877-A1 AQUEOUS COMPOSITION, IN PARTICULAR FOR TREATING MUCOSA AND/OR WOUNDS MUC1, DSG1, AQP3 KDM4E 4117/4885LMNA 662/4885CYP3A4 1747/4885
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX KDM4E 978/4885LMNA 3276/4885CYP3A4 180/4885
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia TNF, RNASE1, IFNAR1 KDM4E 2703/4885LMNA 1396/4885CYP3A4 2468/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB KDM4E 1410/4885LMNA 4608/4885CYP3A4 61/4885

“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.