SCHEMBL21452448

SCHEMBL21452448

CC(C)(C)c1nccn1I

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
KMT2A Q03164 1/20 0.32
LPO P22079 1/20 0.30

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
SCHEMBL419709 0.73 KMT2A (0.50) KCNH2KMT2ALPO
SCHEMBL15314833 0.71 KMT2A (0.36) KCNH2KMT2ALPO
SCHEMBL27854351 0.71 KCNH2 (0.33) KCNH2KMT2ALPO
SCHEMBL18472183 0.71 KCNH2 (0.33) KCNH2KMT2ALPO
Hydrochloric Acid SCHEMBL16540240 0.71 KMT2A (0.48) KCNH2KMT2ALPO
SCHEMBL422085 0.71 KCNH2 (0.33) KCNH2KMT2ALPO
Hydrochloric Acid SCHEMBL21110936 0.70 KCNH2 (0.32) KCNH2KMT2A
SCHEMBL18235319 0.68 KCNH2 (0.31) KCNH2KMT2A
SCHEMBL464563 0.68 KCNH2 (0.43) KCNH2KMT2A
SCHEMBL18330879 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 US disclosed
US-10799504-B2 Heterocyclic compounds and uses as anticancer agents ACEA Therapeutics, Inc. (US) 2020-10-13 US disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 US disclosed
CN-101511796-B Imidazole derivatives KYOWA HAKKO KOGYO KK 2012-05-09 CN disclosed
CN-101511796-A Imidazole derivative KYOWA HAKKO KOGYO KK (JP) 2009-08-19 CN 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 (3 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B KCNH2 3090/4885KMT2A 2428/4885LPO 4874/4885
US-10799504-B2 Heterocyclic compounds and uses as anticancer agents ERBB2, EGFR, ERBB3 KCNH2 4795/4885KMT2A 2218/4885LPO 4545/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B KCNH2 2785/4885KMT2A 2381/4885LPO 4872/4885

“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.