SCHEMBL17853598

SCHEMBL17853598

N#Cc1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.42
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SQOR Q9Y6N5 1/20 0.39
ABCB1 P08183 3/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MYC P01106 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
SCHEMBL17297091 0.92 ABCG2 (0.50) ABCG2MAPTKMT2AABCB1MYC
SCHEMBL18679175 0.89 ABCG2 (0.43) ABCG2ABCB1MYCALDH1A3GABRA1
SCHEMBL18679608 0.89 ABCG2 (0.43) ABCG2ABCB1MYCALDH1A3GABRA1
SCHEMBL18679190 0.89 ABCG2 (0.43) ABCG2ABCB1MYCALDH1A3GABRA1
SCHEMBL18679626 0.89 ABCG2 (0.43) ABCG2ABCB1MYCALDH1A3GABRA1
SCHEMBL17853596 0.89 CYP11B2 (0.53) ABCG2ABCB1DHODHGABRA1GABRG2
SCHEMBL17857880 0.89 ABCG2 (0.43) ABCG2CYP1A2CYP3A4CYP2C9MAPT
SCHEMBL9881145 0.88 ABCG2 (0.47) ABCG2MAPTKMT2AABCB1MYC
SCHEMBL15887889 0.88 ABCG2 (0.43) ABCG2ABCB1MYCALDH1A3GABRA1
SCHEMBL18679198 0.88 ABCG2 (0.43) ABCG2ABCB1MYCALDH1A3GABRA1

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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 ABCG2 4206/4885CYP1A2 1276/4885CYP3A4 2177/4885

“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.