SCHEMBL22327788

SCHEMBL22327788

Clc1cc(Nc2cc(C3CCCO3)[nH]n2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ PAK1 Q13153 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ IGF1R P08069 9/20 0.39
▸ HTR3A P46098 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ IKBKE Q14164 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33

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
SCHEMBL20576777 0.82 MEN1 (0.49) MEN1KMT2AIGF1RPIK3C3
SCHEMBL13081884 0.81 IGF1R (0.50) MEN1KMT2AIGF1RPIK3C3
SCHEMBL14722650 0.78 PAK4 (0.59) AURKAPAK4PAK1IGF1R
SCHEMBL22327874 0.75 PRCP (0.42) AURKAPAK4PAK1IGF1R
SCHEMBL22535673 0.72 NTRK1 (0.41) AURKAPAK4PAK1
SCHEMBL20575194 0.69 MEN1 (0.55) AURKAPAK4MEN1KMT2AIGF1R
SCHEMBL14722771 0.68 ALDH1A1 (0.36) AURKAPAK4PAK1IGF1RMKNK1
SCHEMBL374080 0.67 HCAR3 (0.48) MEN1KMT2ANPC1
SCHEMBL27239570 0.66 CCNA2 (0.44) PAK4PAK1IGF1R
SCHEMBL20449945 0.65 MEN1 (0.68) MEN1KMT2A

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-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 — — 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-10738033-B2 Trk inhibition NGF, NGFR, NTRK2 AURKA 527/4885PAK4 1045/4885PAK1 620/4885

“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.

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