SCHEMBL17451746

SCHEMBL17451746

c1ccc2c(c1)Cc1c-2c2c3ccccc3[nH]c2c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K9 P80192 6/20 0.61
▸ MAP3K11 Q16584 6/20 0.61
▸ MAP3K10 Q02779 4/20 0.61
▸ NTRK1 P04629 2/20 0.61
▸ KDR P35968 2/20 0.61
▸ PRKCA P17252 7/20 0.57
▸ PRKD3 O94806 5/20 0.57
▸ PRKCG P05129 5/20 0.57
▸ PRKCB P05771 5/20 0.57
▸ PRKCH P24723 5/20 0.57
▸ PRKCI P41743 5/20 0.57
▸ PRKCE Q02156 5/20 0.57
▸ PRKCQ Q04759 5/20 0.57
▸ PRKCZ Q05513 5/20 0.57
▸ PRKCD Q05655 5/20 0.57
▸ PRKD1 Q15139 5/20 0.57
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA4 P22748 3/20 0.55
▸ CA6 P23280 3/20 0.55

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
SCHEMBL12219429 0.83 MAP3K9 (0.66) MAP3K9MAP3K11MAP3K10NTRK1KDR
SCHEMBL23369901 0.82 MAP3K9 (0.61) MAP3K9MAP3K11MAP3K10NTRK1KDR
SCHEMBL17228824 0.82 MAP3K9 (0.64) MAP3K9MAP3K11MAP3K10NTRK1KDR
SCHEMBL3075228 0.78 MAP3K9 (0.80) MAP3K9MAP3K11MAP3K10NTRK1KDR
SCHEMBL7354146 0.78 MAP3K9 (0.68) MAP3K9MAP3K11MAP3K10NTRK1KDR
SCHEMBL3082217 0.76 MAP3K9 (1.00) MAP3K9MAP3K11MAP3K10NTRK1KDR
SCHEMBL20382171 0.75 MAP3K9 (0.57) MAP3K9MAP3K11MAP3K10NTRK1KDR
SCHEMBL29986003 0.75 CA1 (0.58) MAP3K9MAP3K11MAP3K10NTRK1KDR
SCHEMBL17029049 0.75 CA1 (0.58) MAP3K9MAP3K11MAP3K10NTRK1KDR
SCHEMBL29985645 0.75 KIF11 (0.50) MAP3K9MAP3K11MAP3K10NTRK1KDR

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-9799835-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-24 — — US disclosed
US-20160020410-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 — — 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 (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-20160020410-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 MAP3K9 3441/4885MAP3K11 4030/4885MAP3K10 3969/4885

“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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