SCHEMBL18101101

SCHEMBL18101101

Brc1cc2c3ccccc3[nH]c2c2oc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 2/20 0.47
▸ MAP3K9 P80192 1/20 0.47
▸ CDK5 Q00535 4/20 0.40
▸ CDK5R1 Q15078 3/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ AHR P35869 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38

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
SCHEMBL18101308 0.88 MAP3K11 (0.44) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL19889756 0.81 KIF11 (0.42) MAP3K11MAP3K9AHRERCC5FEN1
SCHEMBL16201582 0.79 MAP3K11 (0.44) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL30007687 0.79 MAP3K11 (0.44) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL30019295 0.79 MAP3K11 (0.44) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL25479579 0.77 PARP14 (0.41) MAP3K11MAP3K9GABRPGABRDGABRA1
SCHEMBL16276007 0.77 KIF11 (0.46) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL30883881 0.76 MAP3K11 (0.59) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL29506369 0.76 MAP3K11 (0.59) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL17228831 0.76 MAP3K11 (0.59) MAP3K11MAP3K9CDK5CDK5R1DYRK1A

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-20180201621-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-07-19 — — US disclosed
US-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-24 — — US disclosed
WO-2016153198-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2016-09-29 — — 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-20180201621-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 MAP3K11 1470/4885MAP3K9 1002/4885CDK5 4064/4885
US-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 MAP3K11 1742/4885MAP3K9 1307/4885CDK5 4395/4885

“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.

Send feedback