SCHEMBL13059068

SCHEMBL13059068

CC(C)Cn1cncc1CCl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
KCNH2 Q12809 2/20 0.33
DYRK1A Q13627 1/20 0.33
ACE2 Q9BYF1 4/20 0.33
ACE P12821 3/20 0.33
CYP11B1 P15538 8/20 0.32
CYP11B2 P19099 8/20 0.32
TOP2A P11388 1/20 0.32

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 SCHEMBL860676 0.98 POLB (0.34) POLBKCNH2DYRK1AACE2ACE
SCHEMBL13253965 0.82 POLB (0.36) POLBKCNH2DYRK1AACE2ACE
SCHEMBL5654439 0.81 CYP11B1 (0.44) POLBKCNH2DYRK1AACE2ACE
Hydrochloric Acid SCHEMBL6924545 0.80 ALDH1A1 (0.34) ACE2ACE
Hydrochloric Acid SCHEMBL31735658 0.79 POLB (0.34) POLBKCNH2DYRK1ATOP2A
SCHEMBL15613574 0.78 CYP11B1 (0.36) POLBKCNH2DYRK1ACYP11B1CYP11B2
SCHEMBL14415973 0.78 CYP11B1 (0.33) POLBKCNH2DYRK1ACYP11B1CYP11B2
SCHEMBL17493899 0.78
SCHEMBL16886096 0.77 CYP11B1 (0.33) POLBKCNH2DYRK1ACYP11B1CYP11B2
Hydrochloric Acid SCHEMBL2305128 0.76 KCNH2 (0.44) KCNH2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP POLB 334/4885KCNH2 426/4885DYRK1A 3441/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP POLB 334/4885KCNH2 426/4885DYRK1A 3441/4885

“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.