SCHEMBL4246846

SCHEMBL4246846

OCc1ccc2[nH]c(-c3ccncc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN1 Q16512 5/20 0.55
▸ PKN2 Q16513 5/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ RHEB Q15382 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ BRAF P15056 2/20 0.53
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CBFB Q13951 2/20 0.47
▸ PRKCI P41743 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ GUSB P08236 1/20 0.45
▸ PDE4A P27815 1/20 0.44

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
SCHEMBL2105253 0.86 NPC1 (0.57) PKN1PKN2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL11378451 0.85 NPC1 (0.56) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL19970793 0.83 NPBWR1 (0.56) —
SCHEMBL4245678 0.83 ALDH1A1 (0.62) PKN1PKN2KDM4EALDH1A1HPGD
Ridinilazole SCHEMBL413723 0.80 ALDH1A1 (0.66) PKN1PKN2KDM4EALDH1A1HPGD
Ridinilazole SCHEMBL29379856 0.80 ALDH1A1 (0.66) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL124236 0.77 NPBWR1 (0.49) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL16498509 0.77 KDM4E (0.57) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL7164761 0.76 RHEB (0.69) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL30343722 0.76 KDM4E (0.60) PKN1PKN2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 — — US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 — — 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 PKN1 504/4885PKN2 974/4885KDM4E 2565/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA PKN1 983/4885PKN2 875/4885KDM4E 3686/4885

“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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