SCHEMBL12834409

SCHEMBL12834409

c1ccc2c(-c3nc4cc5c[nH]nc5cc4[nH]3)c[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.46
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
TDO2 P48775 7/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TUBB4A P04350 1/20 0.41

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
SCHEMBL12833541 0.80 RAB9A (0.59) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12834043 0.79 PLG (0.58) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL14115882 0.78 HDAC3 (0.49) MAPTLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8033955 0.78 MEN1 (0.63) NT5EMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL14091530 0.77 HPGD (0.43) MAPTLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14091479 0.74 AMY1A (0.40) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL14091512 0.73 NPC1 (0.47) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL14091486 0.73 AMY1A (0.38) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL14091575 0.73 AMY1A (0.47) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL14091601 0.72 AMY1A (0.58)

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 6 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
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO 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 NT5E 1316/4885MAPT 3154/4885LMNA 4192/4885

“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.