SCHEMBL12833525

SCHEMBL12833525

O=C(c1ccc2nc(-c3c[nH]c4ccccc34)[nH]c2c1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ATR Q13535 2/20 0.51
▸ FGFR1 P11362 3/20 0.51
▸ KDR P35968 2/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ MGLL Q99685 1/20 0.50
▸ FLT3 P36888 4/20 0.49
▸ FGFR2 P21802 1/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ GPR84 Q9NQS5 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL22955640 0.86 MEN1 (0.59) KMT2AMEN1ATRFGFR1KDR
SCHEMBL12833993 0.85 MEN1 (0.66) KMT2AMEN1ATRFGFR1KDR
SCHEMBL12834401 0.85 FGFR1 (0.52) FGFR1KDRPDGFRBMGLLFGFR2
SCHEMBL14090367 0.83 F2 (0.61) KMT2AMEN1ATRFGFR1KDR
SCHEMBL13373641 0.82 FGFR1 (0.68) KMT2AMEN1ATRFGFR1KDR
SCHEMBL31695045 0.81 CHEK2 (0.55) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL14090245 0.78 MEN1 (0.53) KMT2AMEN1ATRFGFR1KDR
SCHEMBL14091294 0.78 MEN1 (0.55) KMT2AMEN1ATRFGFR1KDR
SCHEMBL14090342 0.78 AMY1A (0.53) KMT2AMEN1ATRFGFR1KDR
SCHEMBL20088942 0.78 HDAC6 (0.67) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 KMT2A 1726/4885MEN1 1879/4885ATR 1006/4885

“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.

Send feedback