SCHEMBL21641390

SCHEMBL21641390

N#Cc1cccc(N2C=NCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.51
NOTUM Q6P988 2/20 0.43
ALOX5 P09917 1/20 0.43
NSD2 O96028 1/20 0.42
C1S P09871 1/20 0.40
GRM5 P41594 6/20 0.40
DHFR P00374 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL21641504 0.80 KDM4E (0.44) NOTUMMAOBKDM4EALDH1A1TSHR
SCHEMBL15800697 0.73 DRD2 (0.79) DRD2DRD3NOTUMALOX5NSD2
SCHEMBL105023 0.73 SIGMAR1 (0.41) KDM4EMAPTHTT
SCHEMBL6272216 0.73 SIGMAR1 (0.41) KDM4EMAPTHTT
SCHEMBL21641415 0.72 CYP11B2 (0.40) KDM4EALDH1A1MAPTTSHR
SCHEMBL16789934 0.70 DRD2 (0.59) DRD2DRD3NOTUMALOX5NSD2
SCHEMBL29809089 0.70 DRD2 (0.74) DRD2DRD3NOTUMALOX5NSD2
SCHEMBL3537217 0.70 DRD2 (0.74) DRD2DRD3NOTUMALOX5NSD2
SCHEMBL4468086 0.69 DRD2 (0.72) DRD2DRD3NOTUMALOX5NSD2
SCHEMBL29930534 0.69 HRH3 (0.54) DRD2DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234630-B Phenylimidazolines having aminomethyl groups Compound or salt thereof and process for producing the same 三菱瓦斯化学株式会社 2023-02-03 CN claimed
EP-3604286-B1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD OF SAID COMPOUNDS OR SALTS THEREOF MITSUBISHI GAS CHEMICAL CO (JP) 2022-01-19 EP claimed
CN-110234630-B Phenylimidazolines having aminomethyl groups Compound or salt thereof and process for producing the same 三菱瓦斯化学株式会社 2023-02-03 CN disclosed
EP-3604286-B1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD OF SAID COMPOUNDS OR SALTS THEREOF MITSUBISHI GAS CHEMICAL CO (JP) 2022-01-19 EP disclosed
US-11198676-B2 Phenyl imidazoline compound having aminomethyl group or salt thereof, or phenyl tetrahydropyrimidine compound having aminomethyl group or salt thereof, and production method for such compounds or salts thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-14 US disclosed
US-20200339516-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD FOR SUCH COMPOUNDS OR SALTS THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-10-29 US disclosed
EP-3604286-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD OF SAID COMPOUNDS OR SALTS THEREOF Mitsubishi Gas Chemical Company, Inc. (JP) 2020-02-05 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 (2 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-20200339516-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD FOR SUCH COMPOUNDS OR SALTS THEREOF JAK2, IL4I1, INMT DRD2 1282/4885DRD3 1755/4885NOTUM 938/4885
US-11198676-B2 Phenyl imidazoline compound having aminomethyl group or salt thereof, or phenyl tetrahydropyrimidine compound having aminomethyl group or salt thereof, and production method for such compounds or salts thereof JAK2, IL4I1, INMT DRD2 1282/4885DRD3 1755/4885NOTUM 938/4885

“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.