SCHEMBL17687962

SCHEMBL17687962

COC(OC)c1cncc(-c2cncc(Cl)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 5/20 0.39
▸ CYP11B1 P15538 4/20 0.39
▸ CDK2 P24941 1/20 0.32
▸ SCN2A Q99250 1/20 0.30
▸ SCN10A Q9Y5Y9 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1B1 Q16678 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
SCHEMBL17687825 0.76 CCR1 (0.34) CYP11B2CYP11B1
SCHEMBL17687787 0.70 TLR7 (0.34) CYP11B2CYP11B1
SCHEMBL16180326 0.70 CDK2 (0.40) CDK2
SCHEMBL31556447 0.68 CYP11B2 (0.45) CYP11B2CYP11B1CDK2SCN2ASCN10A
SCHEMBL4897458 0.68 CHEK1 (0.58) CYP11B2CYP11B1SCN2ASCN10AFYN
SCHEMBL11294439 0.67 S1PR2 (0.31) —
SCHEMBL28026424 0.66 KDM4E (0.35) CYP11B2CYP11B1
SCHEMBL13535500 0.66 POLB (0.35) —
SCHEMBL1679077 0.65 FYN (0.70) CYP11B2CYP11B1KDRFYN
SCHEMBL4901225 0.65 CYP11B2 (0.49) CYP11B2CYP11B1CDK2SCN2ASCN10A

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
EP-3207042-B1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-03 — — EP disclosed
US-9850256-B2 Antibacterial basic biaromatic derivatives with aminoalkoxy substitution IDORSIA PHARMACEUTICALS LTD (CH) 2017-12-26 — — US disclosed
US-20170305927-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
EP-3207042-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION Idorsia Pharmaceuticals Ltd (CH) 2017-08-23 — — EP disclosed
WO-2016059097-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION ACTELION PHARMACEUTICALS LTD (CH) 2016-04-21 — — 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 (1 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-20170305927-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION RPSA, RPL4, RPS4Y1 CYP11B2 1359/4885CYP11B1 1311/4885CDK2 1193/4885

“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.

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