SCHEMBL21022948

SCHEMBL21022948

Cc1ccc(-c2cccc(-c3ccccn3)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.57
CYP3A4 P08684 1/20 0.57
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TGFBR1 P36897 1/20 0.46
GRM5 P41594 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 5/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 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
SCHEMBL15029845 0.93 CYP2A6 (0.56) CYP2A6CYP3A4CCR1CCR5CCR8
SCHEMBL503090 0.89 CYP3A4 (0.63) CYP2A6CYP3A4CCR1CCR5CCR8
SCHEMBL23571998 0.88 CYP2A6 (0.49) CYP2A6CYP3A4CCR1CCR5CCR8
SCHEMBL17055534 0.87 CYP2A6 (0.58) CYP2A6CYP3A4CCR1CCR5CCR8
SCHEMBL2480995 0.86 CYP3A4 (0.56) CYP2A6CYP3A4CCR1CCR5CCR8
SCHEMBL564428 0.85 CCR1 (0.70) CYP2A6CYP3A4CCR1CCR5CCR8
SCHEMBL30492588 0.85 CCR1 (0.70) CYP2A6CYP3A4CCR1CCR5CCR8
SCHEMBL17051618 0.85 CYP2A6 (0.58) CYP2A6CYP3A4CCR1CCR5CCR8
SCHEMBL17426494 0.84 CYP3A4 (0.54) CYP2A6CYP3A4CCR1CCR5CCR8
SCHEMBL12339138 0.84 GRM5 (0.57) CYP2A6CCR1CCR5CCR8TGFBR1

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-11168103-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-11-09 US disclosed
US-20190153009-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-05-23 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 (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-20190153009-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES CHRM4, CHRM1, OPRD1 CYP2A6 727/4885CYP3A4 287/4885CCR1 105/4885
US-11168103-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, OR10J3 CYP2A6 3287/4885CYP3A4 823/4885CCR1 1091/4885

“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.