SCHEMBL13058960

SCHEMBL13058960

BrCc1cncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.47
CYP11B1 P15538 5/20 0.47
PRKCZ Q05513 1/20 0.42
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1D P25100 2/20 0.39
ADRA1B P35368 2/20 0.39
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR3 P46089 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PDE5A O76074 1/20 0.36
PDE3B Q13370 1/20 0.36

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
Bromide SCHEMBL15413666 0.98 CYP11B2 (0.46) CYP11B2CYP11B1PRKCZADRA2AADRA2B
SCHEMBL28005981 0.84 CYP11B2 (0.45) CYP11B2CYP11B1PRKCZADRA2AADRA2B
SCHEMBL2258454 0.81 CYP11B1 (0.49) CYP11B2CYP11B1PRKCZADRA2AADRA2B
SCHEMBL9646280 0.79 CYP11B2 (0.47) CYP11B2CYP11B1PRKCZADRA2AADRA2B
SCHEMBL3822233 0.79 CYP11B2 (0.47) CYP11B2CYP11B1PRKCZADRA2AADRA2B
SCHEMBL25076210 0.79 CYP11B2 (0.47) CYP11B2CYP11B1PRKCZADRA2AADRA2B
SCHEMBL4045763 0.79 CYP11B1 (0.47) CYP11B2CYP11B1PRKCZADRA2AADRA2B
SCHEMBL873335 0.79 CYP11B1 (0.47) CYP11B2CYP11B1PRKCZADRA2AADRA2B
SCHEMBL9572666 0.79 CYP11B2 (0.47) CYP11B2CYP11B1PRKCZADRA2AADRA2B
Hydrochloric Acid SCHEMBL6845329 0.79 CYP11B1 (0.47) CYP11B2CYP11B1PRKCZADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922407-A Respiratory Syncytial Virus(RSV) inhibitor 美迪维尔公司 2018-04-17 CN disclosed
CN-107428692-A Substituted monoazanaphthalene derivatives and polyazanaphthalene derivatives and use thereof 巴斯利尔药物国际股份公司 2017-12-01 CN disclosed
CN-104507913-B The antiproliferative ketone of benzo [b] azepine * 2 霍夫曼-拉罗奇有限公司 2017-07-28 CN 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

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 CYP11B2 117/4885CYP11B1 204/4885PRKCZ 2148/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP CYP11B2 117/4885CYP11B1 204/4885PRKCZ 2148/4885

“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.