SCHEMBL21140369

SCHEMBL21140369

Ic1cc(-c2ccccc2)cc(-c2ccncc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.65
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ATAD2 Q6PL18 1/20 0.45
IMPDH2 P12268 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
MAPK14 Q16539 3/20 0.43
RAF1 P04049 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43
AURKA O14965 1/20 0.43
CDK1 P06493 1/20 0.43
LYN P07948 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43

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
SCHEMBL15989356 0.91 MAPT (0.58) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL12068184 0.89 NOTUM (0.83) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL18270326 0.86 NOTUM (0.79) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL2194491 0.86 ALDH1A1 (0.53) NOTUMHSD17B10
SCHEMBL16901964 0.86 ALDH1A1 (0.53) NOTUMHSD17B10
SCHEMBL22560719 0.84 CYP2A6 (0.56) NOTUMMAPTLMNAMKNK1PIK3CA
SCHEMBL24492829 0.84 NOTUM (0.75) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL22428538 0.84 NOTUM (0.75) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL18134276 0.84 NOTUM (0.75) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL18650164 0.84 NOTUM (0.75) NOTUMMAPTLMNANPC1RAB9A

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-20200144503-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-07 US disclosed
US-20190181351-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2019-06-13 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-20200144503-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CTCF, SLC18A1, DCX NOTUM 2986/4885MAPT 2956/4885LMNA 1081/4885
US-20190181351-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OCIAD2, OCIAD1, OR10J3 NOTUM 1942/4885MAPT 1944/4885LMNA 4682/4885

“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.