SCHEMBL30077166

SCHEMBL30077166

Cc1nc(-c2cccc(Cl)n2)[nH]c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
OPRK1 P41145 1/20 0.42
SMPD3 Q9NY59 1/20 0.35
JAK2 O60674 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
IDH1 O75874 7/20 0.34
IDH2 P48735 6/20 0.34
NPY5R Q15761 2/20 0.34
PIN1 Q13526 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
CBFB Q13951 1/20 0.33
MEN1 O00255 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
SCHEMBL15347711 1.00 KMT2A (0.42) KMT2AOPRK1SMPD3JAK2HTR3E
SCHEMBL18158119 0.81 CCR1 (0.56) KMT2AOPRK1SMPD3ALDH1A1NPY5R
SCHEMBL15347467 0.80 OPRK1 (0.35) KMT2AOPRK1JAK2HTR3EHTR3B
SCHEMBL30077011 0.80 OPRK1 (0.35) KMT2AOPRK1JAK2HTR3EHTR3B
SCHEMBL28905996 0.80 KMT2A (0.36) KMT2AOPRK1SMPD3NPY5RPIN1
SCHEMBL30077058 0.78 IDH1 (0.37) KMT2AOPRK1HTR3EHTR3BALDH1A1
SCHEMBL30077134 0.78 PDK2 (0.38) KMT2AOPRK1JAK2ALDH1A1IDH1
SCHEMBL15347407 0.78 PDK2 (0.38) KMT2AOPRK1JAK2ALDH1A1IDH1
SCHEMBL15347246 0.78 IDH1 (0.37) KMT2AOPRK1HTR3EHTR3BALDH1A1
SCHEMBL12685281 0.74 KDM4E (0.36) KMT2AOPRK1SMPD3JAK2HTR3E

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-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 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-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 KMT2A 3673/4885OPRK1 71/4885SMPD3 3282/4885

“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.