SCHEMBL17636631

SCHEMBL17636631

c1cncc(-c2nc(-c3cccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)nn2-c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4A O75164 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL17636641 0.92 MAPT (0.41) MAPTALDH1A1L3MBTL1GFERNPSR1
SCHEMBL17636689 0.91 MAPT (0.41) MAPTALDH1A1L3MBTL1GFERNPSR1
SCHEMBL17636633 0.87 KDM4A (0.45) ALDH1A1L3MBTL1KMT2AKDM4AKDM4E
SCHEMBL17636656 0.87 MAPT (0.42) MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL17636669 0.87 MAPT (0.42) MAPTALDH1A1L3MBTL1
SCHEMBL17636629 0.86 MAPT (0.44) MAPTALDH1A1L3MBTL1CYP3A4CYP2D6
SCHEMBL17636693 0.85 MAPT (0.39) MAPTALDH1A1GFERNPSR1CYP11B1
SCHEMBL17636713 0.84 MAPT (0.40) MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL17636680 0.84 MAPT (0.40) MAPTRAB9ASMN1; SMN2CYP11B2
SCHEMBL17636650 0.83 MAPT (0.43) MAPTALDH1A1L3MBTL1SMN1; SMN2

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 1845/4885ALDH1A1 420/4885L3MBTL1 178/4885

“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.