SCHEMBL1509516

SCHEMBL1509516

CN1CCN(CCc2ccc(NC(=O)c3ccc(N)c(N)c3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.53
ABCG2 Q9UNQ0 11/20 0.53
KIT P10721 2/20 0.49
BTK Q06187 1/20 0.49
TNF P01375 1/20 0.47
NOD1 Q9Y239 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ABL1 P00519 1/20 0.46
INSR P06213 1/20 0.46
NPM1 P06748 1/20 0.46
IGF1R P08069 1/20 0.46
BCR P11274 1/20 0.46
FLT3 P36888 1/20 0.46
ALK Q9UM73 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL1509579 0.81 ABCB1 (0.45) ABCB1ABCG2TNFNOD1
Hydrochloric Acid SCHEMBL1509432 0.80 ABCB1 (0.44) ABCB1ABCG2TNFNOD1
SCHEMBL1509539 0.78 ABCB1 (0.61) ABCB1ABCG2BTKNPC1RAB9A
SCHEMBL13880941 0.78 KMT2A (0.58) ABCB1ABCG2KITBTKNPC1
SCHEMBL15295566 0.76 TP53 (0.56) RAB9AALDH1A1NAMPT
SCHEMBL15651745 0.76 BTK (0.65) ABCB1ABCG2KITBTKTNF
SCHEMBL2949573 0.76 RAD52 (0.61) ALDH1A1
SCHEMBL878663 0.75 BTK (0.64) BTKTNFNPC1RAB9AALDH1A1
SCHEMBL13212024 0.74 HRH3 (0.63) ABCB1ABCG2TNFNOD1NPC1
SCHEMBL1509489 0.74 HDAC3 (0.57) ABCB1ABCG2RAB9AALDH1A1

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 11 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
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
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
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO 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 ABCB1 2579/4885ABCG2 3134/4885KIT 1291/4885

“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.