SCHEMBL3228933

SCHEMBL3228933

N#Cc1cccc(Cl)c1CO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 3/20 0.39
TERT O14746 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
SLC22A12 Q96S37 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
ACP1 P24666 1/20 0.37
HSD11B1 P28845 1/20 0.37
ESR2 Q92731 1/20 0.36
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
TSHR P16473 1/20 0.34
TRPV4 Q9HBA0 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
SCHEMBL15388928 0.85 ESR2 (0.42) KDM4EALDH1A1HPGDGAAESR2
SCHEMBL16587420 0.80 DYRK1A (0.41) DYRK1AAKR1B1KDM4EALDH1A1HPGD
SCHEMBL4145151 0.80 DYRK1A (0.41) DYRK1AAKR1B1KDM4EALDH1A1HPGD
SCHEMBL12490650 0.80 DYRK1A (0.41) DYRK1AAKR1B1KDM4EALDH1A1HPGD
SCHEMBL21484251 0.80 TAAR1 (0.47) DYRK1AAKR1B1KDM4EALDH1A1HPGD
Bromide SCHEMBL25374489 0.78 DYRK1A (0.40) DYRK1AAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11875050 0.78 AKR1B1 (0.67) AKR1B1KDM4EALDH1A1HPGDGAA
SCHEMBL110369 0.78 AKR1B1 (0.52) AKR1B1ALDH1A1GAANPSR1MAPT
SCHEMBL25483123 0.77 TAAR1 (0.39) DYRK1AKDM4EALDH1A1HPGDGAA
SCHEMBL19289915 0.77 AKR1B1 (0.46) DYRK1AAKR1B1KDM4EALDH1A1HPGD

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 11 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
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed
WO-2010009047-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-21 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 (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 DYRK1A 3441/4885AKR1B1 276/4885KDM4E 3841/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP DYRK1A 3441/4885AKR1B1 276/4885KDM4E 3841/4885

“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.