SCHEMBL6783242

SCHEMBL6783242

N#CCn1ncc2ccc(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
HTR2A P28223 6/20 0.42
HTR2C P28335 6/20 0.42
HTR2B P41595 4/20 0.42
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
HTR1D P28221 1/20 0.39
HTR7 P34969 1/20 0.39
HTR4 Q13639 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.38
KMO O15229 8/20 0.37
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CSNK1A1 P48729 1/20 0.36
GSK3A P49840 1/20 0.36
LIMK1 P53667 1/20 0.36
IKBKE Q14164 1/20 0.36

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
SCHEMBL30861000 1.00 CYP1A2 (0.43) CYP1A2HTR2AHTR2CHTR2BHTR1A
SCHEMBL7571403 0.84 CYP1A2 (0.63) CYP1A2HTR2AHTR2CHTR2BHTR1A
SCHEMBL23987082 0.84 HTR2A (0.42) CYP1A2HTR2AHTR2CHTR2BHTR1A
SCHEMBL13607554 0.81 KMO (0.55) CYP1A2HTR2AHTR2CHTR2BHTR1A
SCHEMBL30174529 0.78 CYP1A2 (0.41) CYP1A2HTR2AHTR2CHTR2BHTR1A
SCHEMBL24337914 0.78 CYP1A2 (0.41) CYP1A2HTR2AHTR2CHTR2BHTR1A
SCHEMBL217944 0.78 HTR2A (0.45) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31039602 0.78 HTR2A (0.45) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31236306 0.76 CYP1A2 (0.70) CYP1A2ADRA2AKMO
SCHEMBL4319982 0.76 CYP1A2 (0.70) CYP1A2ADRA2AKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
US-20040039019-A1 Selected anthranilaminde pyridinamides and their use as pharmaceutical agents SCHERING AG (DE) 2004-02-26 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-20040039019-A1 Selected anthranilaminde pyridinamides and their use as pharmaceutical agents KDR, FLT1, FLT4 CYP1A2 37/4885HTR2A 475/4885HTR2C 519/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 CYP1A2 4674/4885HTR2A 2485/4885HTR2C 2306/4885

“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.