SCHEMBL18926323

SCHEMBL18926323

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccc6c7ccccc7oc6c5ccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
MAPT P10636 11/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CSF1R P07333 1/20 0.34
PDGFRB P09619 1/20 0.34

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
SCHEMBL31896 0.94 TSHR (0.40) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL15625585 0.92 TSHR (0.38) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL21365552 0.92 TSHR (0.38) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL16160432 0.92 TSHR (0.38) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL26841921 0.91 TSHR (0.40) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL17990697 0.91 TSHR (0.38) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL16437627 0.91 ALDH1A1 (0.38) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL17990639 0.91 TSHR (0.38) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL16437637 0.90 TSHR (0.42) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL17990643 0.89 ALDH1A1 (0.35) TSHRMAPTALDH1A1KDM4EPOLB

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-9806271-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-10-31 US disclosed
US-9806271-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-10-31 US disclosed
US-20170162797-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-06-08 US disclosed
US-20170162797-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-06-08 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-20170162797-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L1CAM, CHRM1, OR10J3 TSHR 2065/4885MAPT 3098/4885ALDH1A1 212/4885

“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.