SCHEMBL6853433

SCHEMBL6853433

Oc1cncc2nc(-c3ccncc3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 1.00
▸ NPC1 O15118 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ AR P10275 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LATS1 O95835 13/20 0.46
▸ LATS2 Q9NRM7 7/20 0.46
▸ MAPT P10636 1/20 0.43
▸ AKT1 P31749 1/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ EGFR P00533 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39

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
SCHEMBL28108994 0.83 CDC7 (0.70) CDC7NPC1RAB9AESR1ESR2
SCHEMBL29650603 0.72 NPC1 (0.66) CDC7NPC1CYP1A2CYP3A4AR
SCHEMBL14251496 0.71 CDC7 (0.54) CDC7ESR1ESR2
SCHEMBL10674917 0.69 DHODH (0.61) CDC7NPC1CYP1A2CYP3A4AR
SCHEMBL3393299 0.67 CDC7 (0.50) CDC7LATS1LATS2EGFRPDGFRB
SCHEMBL29897413 0.67 CDC7 (0.50) CDC7LATS1LATS2EGFRPDGFRB
SCHEMBL15644179 0.67 LATS1 (0.61) LATS1LATS2
SCHEMBL28992074 0.67 ESR1 (0.77) CDC7NPC1CYP1A2CYP3A4AR
SCHEMBL14251339 0.67 CDC7 (0.50) CDC7
SCHEMBL4177850 0.66 TDO2 (0.53) CDC7NPC1CYP1A2CYP3A4AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 — — US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 — — US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 — — 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CDC7 76/4885NPC1 2822/4885CYP1A2 3486/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CDC7 76/4885NPC1 2822/4885CYP1A2 3486/4885

“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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