SCHEMBL13020060

SCHEMBL13020060

Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 9/20 0.56
▸ CYP1A2 P05177 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ABL1 P00519 4/20 0.49
▸ FYN P06241 3/20 0.49
▸ EGFR P00533 3/20 0.49
▸ HCK P08631 3/20 0.49
▸ LCK P06239 2/20 0.49
▸ YES1 P07947 2/20 0.49
▸ FGR P09769 2/20 0.49
▸ LYN P07948 2/20 0.49
▸ BLK P51451 2/20 0.49
▸ KDR P35968 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ RIPK2 O43353 1/20 0.49
▸ PDGFRB P09619 1/20 0.49

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
SCHEMBL14693600 0.80 XDH (0.46) SRCCYP1A2MEN1KMT2AMAPK1
SCHEMBL1319408 0.74 NUDT14 (0.59) SRCCYP1A2ABL1FYNEGFR
SCHEMBL13019996 0.73 SRC (0.73) SRCCYP1A2MEN1KMT2AMAPK1
SCHEMBL13019674 0.73 SRC (1.00) SRCCYP1A2MEN1KMT2AMAPK1
SCHEMBL14617846 0.71 EGFR (0.60) SRCEGFRLCKLYNKDR
SCHEMBL1319283 0.71 SRC (0.69) SRCABL1EGFRHCKKDR
SCHEMBL13019921 0.71 PIK3CD (0.60) SRCCYP1A2MEN1KMT2AMAPK1
SCHEMBL3615783 0.71 SRC (0.70) SRCCYP1A2ABL1FYNEGFR
SCHEMBL29999315 0.71 SRC (0.69) SRCABL1EGFRHCKKDR
SCHEMBL24096494 0.70 SRC (0.58) SRCABL1EGFRHCKLCK

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885CYP1A2 4534/4885MEN1 2089/4885

“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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