SCHEMBL21641504

SCHEMBL21641504

N#Cc1ccc(N2C=NCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CHEK1 O14757 1/20 0.39
NOTUM Q6P988 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
CYP19A1 P11511 4/20 0.37
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP11B2 P19099 4/20 0.37
CYP11B1 P15538 2/20 0.37
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL21641390 0.80 DRD2 (0.51) KDM4ENOTUMMAOBALDH1A1TSHR
SCHEMBL105023 0.74 SIGMAR1 (0.41) KDM4EPOLBCA12CA2CA9
SCHEMBL6272216 0.74 SIGMAR1 (0.41) KDM4EPOLBCA12CA2CA9
SCHEMBL23099448 0.74 CHEK1 (0.43) KDM4ETP53CHEK1NOTUMCHRNA10
SCHEMBL21641415 0.74 CYP11B2 (0.40) KDM4ECYP11B2CYP11B1POLBALDH1A1
SCHEMBL29930534 0.71 HRH3 (0.54) KCNH2ALDH1A1HRH3CYP3A4CYP2C19
SCHEMBL30639263 0.70 KDM4E (0.47) KDM4ETP53CHEK1NOTUMCHRNA10
SCHEMBL1033438 0.69 KDM4E (0.61) KDM4ETP53CHEK1NOTUMCHRNA10
SCHEMBL2384959 0.69 KDM4E (0.80) KDM4ETP53CHEK1CHRNA10CHRNA9
Hydrochloric Acid SCHEMBL28679874 0.68 KDM4E (0.46) KDM4ETP53CHEK1NOTUMCHRNA10

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 4 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 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 KDM4E 190/4885TP53 2082/4885CHEK1 1251/4885
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 KDM4E 190/4885TP53 2082/4885CHEK1 1251/4885

“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.