SCHEMBL20094447

SCHEMBL20094447

C/C(=N\c1ccccc1C(C)C)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 5/20 0.44
GAA P10253 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX12 P18054 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44

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
Hydrochloric Acid SCHEMBL5833496 0.86 SIGMAR1 (0.44) KDM4ESMN1; SMN2RAB9AGAAALDH1A1
SCHEMBL242519 0.86 KDM4E (0.53) KDM4ESMN1; SMN2RAB9AGAAALDH1A1
SCHEMBL8166694 0.86 KDM4E (0.53) KDM4ESMN1; SMN2RAB9AGAAALDH1A1
Hydrochloric Acid SCHEMBL3291945 0.86 SIGMAR1 (0.44) KDM4ESMN1; SMN2RAB9AGAAALDH1A1
Hydrochloric Acid SCHEMBL3291942 0.86 SIGMAR1 (0.44) KDM4ESMN1; SMN2RAB9AGAAALDH1A1
SCHEMBL242518 0.86 KDM4E (0.53) KDM4ESMN1; SMN2RAB9AGAAALDH1A1
SCHEMBL30635011 0.85 SIGMAR1 (0.46) KDM4ESMN1; SMN2RAB9AGAAMEN1
SCHEMBL4618223 0.85 SIGMAR1 (0.46) KDM4ESMN1; SMN2RAB9AGAAMEN1
SCHEMBL4618229 0.85 SIGMAR1 (0.46) KDM4ESMN1; SMN2RAB9AGAAMEN1
SCHEMBL8167553 0.84 KDM4E (0.51) KDM4ESMN1; SMN2RAB9AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746167-B2 Process for the preparation of polyisoprene with a mainly alternating cis-1,4- alt-3,4 structure in the presence of a catalytic system comprising a pyridyl iron complex VERSALIS S.P.A. (IT) 2023-09-05 US disclosed
US-11746167-B2 Process for the preparation of polyisoprene with a mainly alternating cis-1,4- alt-3,4 structure in the presence of a catalytic system comprising a pyridyl iron complex VERSALIS S.P.A. (IT) 2023-09-05 US disclosed
US-10954326-B2 Process for the preparation of syndiotactic 1,2-polybutadiene in the presence of a catalytic system comprising a pyridyl iron complex VERSALIS S.P.A. (IT) 2021-03-23 US disclosed
EP-3529289-B1 PROCESS FOR PREPARING CONJUGATED DIENE (CO)POLYMERS IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON (III) COMPLEX VERSALIS SPA (IT) 2020-12-02 EP disclosed
US-20200369805-A1 PROCESS FOR THE PREPARATION OF POLYISOPRENE WITH A MAINLY ALTERNATING CIS-1,4- ALT-3,4 STRUCTURE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON COMPLEX VERSALIS S.P.A. (IT) 2020-11-26 US disclosed
US-10793653-B2 Process for preparing conjugated diene (co)polymers in the presence of a catalytic system comprising a pyridyl iron (III) complex VERSALIS S.P.A. (IT) 2020-10-06 US disclosed
EP-3529285-B1 PROCESS FOR THE PREPARATION OF SYNDIOTACTIC 1,2-POLYBUTADIENE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON COMPLEX VERSALIS SPA (IT) 2020-08-05 EP disclosed
EP-3194409-B1 PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS SPA (IT) 2019-09-11 EP disclosed
US-20190270832-A1 PROCESS FOR PREPARING CONJUGATED DIENE (CO)POLYMERS IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON (III) COMPLEX VERSALIS S.P.A. (IT) 2019-09-05 US disclosed
WO-2018073795-A1 PROCESS FOR PREPARING CONJUGATED DIENE (CO)POLYMERS IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON (III) COMPLEX VERSALIS S.P.A. (IT) 2018-04-26 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-10954326-B2 Process for the preparation of syndiotactic 1,2-polybutadiene in the presence of a catalytic system comprising a pyridyl iron complex AOC3, C9, SCO2 KDM4E 2179/4885SMN1; SMN2 1407/4885RAB9A 4348/4885
US-20190270832-A1 PROCESS FOR PREPARING CONJUGATED DIENE (CO)POLYMERS IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON (III) COMPLEX AOC3, C5, AOC2 KDM4E 4296/4885SMN1; SMN2 3007/4885RAB9A 653/4885
US-10793653-B2 Process for preparing conjugated diene (co)polymers in the presence of a catalytic system comprising a pyridyl iron (III) complex AOC3, C5, AOC2 KDM4E 4296/4885SMN1; SMN2 3007/4885RAB9A 653/4885
US-11746167-B2 Process for the preparation of polyisoprene with a mainly alternating cis-1,4- alt-3,4 structure in the presence of a catalytic system comprising a pyridyl iron complex AOC3, AOC2, C5 KDM4E 4169/4885SMN1; SMN2 2787/4885RAB9A 771/4885
US-20200369805-A1 PROCESS FOR THE PREPARATION OF POLYISOPRENE WITH A MAINLY ALTERNATING CIS-1,4- ALT-3,4 STRUCTURE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON COMPLEX AOC3, AOC2, C5 KDM4E 4169/4885SMN1; SMN2 2787/4885RAB9A 771/4885

“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.