SCHEMBL17636655

SCHEMBL17636655

c1cncc(-c2nnc(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c3)n2-c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
CYP1A2 P05177 3/20 0.41
METAP2 P50579 3/20 0.41
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP11B2 P19099 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APLNR P35414 1/20 0.37

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
SCHEMBL17636676 0.93 MAPT (0.43) MAPTCYP1A2METAP2MDM2ALDH1A1
SCHEMBL17636652 0.92 MAPT (0.46) MAPTCYP1A2METAP2ALDH1A1L3MBTL1
SCHEMBL18119487 0.90 MDM2 (0.46) CYP1A2METAP2MDM2ALDH1A1L3MBTL1
SCHEMBL10111078 0.89 ALDH1A1 (0.45) MAPTCYP1A2METAP2MDM2ALDH1A1
SCHEMBL18538738 0.87 MDM2 (0.44) CYP1A2METAP2MDM2ALDH1A1L3MBTL1
SCHEMBL17636670 0.87 MAPT (0.46) MAPTCYP1A2METAP2ALDH1A1L3MBTL1
SCHEMBL17636644 0.86 MAPT (0.44) MAPTCYP1A2METAP2ALDH1A1L3MBTL1
SCHEMBL17636692 0.85 MAPT (0.41) MAPTCYP1A2METAP2ALDH1A1L3MBTL1
SCHEMBL10110997 0.85 KDM4E (0.49) CYP1A2METAP2MDM2ALDH1A1L3MBTL1
SCHEMBL10110966 0.85 ALDH1A1 (0.49) MAPTMDM2ALDH1A1L3MBTL1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 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-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 MAPT 1845/4885CYP1A2 735/4885METAP2 4704/4885

“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.