SCHEMBL7232240

SCHEMBL7232240

C[C@H](Nc1cc(C#N)ccn1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
HTR7 P34969 7/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
PLK1 P53350 1/20 0.53
ADRA1D P25100 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
MAPK14 Q16539 4/20 0.49
EGFR P00533 2/20 0.46
CAMK2D Q13557 2/20 0.46
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46

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
SCHEMBL2812646 0.80 MAP3K12 (0.43) MAPK14JAK2JAK3
SCHEMBL19478461 0.80 HTR7 (0.57) HTR7PLK1ADRA1DHTR2CADRA1A
SCHEMBL27305663 0.79 AR (0.55) ARHTR7ALDH1A1HPGDPLK1
SCHEMBL17439303 0.78 HTR7 (0.56) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL3555705 0.78 HTR7 (0.59) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL27709812 0.77 AR (0.54) ARHTR7ALDH1A1HPGDPLK1
SCHEMBL17372196 0.76 MAP3K12 (0.41) ARMAPK14JAK2JAK3
SCHEMBL30999000 0.76 FDPS (0.41) MAPK14
SCHEMBL5981398 0.75 KDM4E (0.56) HTR7ALDH1A1HPGD
SCHEMBL17560828 0.75 HTR7 (0.70) ARHTR7PLK1EGFRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055255-A1 Synthesis of substituted imidazoles MARCANTONIO KAREN (US) 2003-03-20 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-20030055255-A1 Synthesis of substituted imidazoles KARS1, TKT, AADAC AR 2987/4885HTR7 2547/4885ALDH1A1 2757/4885

“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.