SCHEMBL12833882

SCHEMBL12833882

COc1ccc2c(c1)CCc1cnc(-n3cc(C(=O)Nc4ccc(N5CCN(Cc6ccncc6)CC5)cc4)c(N)n3)nc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
ABCB1 P08183 7/20 0.41
CYP3A4 P08684 7/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
CCR5 P51681 1/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL14090147 0.97 HSD17B10 (0.45) MAPTL3MBTL1SMN1; SMN2LMNAHSD17B10
SCHEMBL14090140 0.91 HTR1A (0.40) MAPTHSD17B10KMT2AABCB1KDM4E
SCHEMBL14090151 0.91 SRPK1 (0.39) MAPTLMNAHSD17B10TSHRKDM4E
SCHEMBL14090138 0.89 HSD17B10 (0.42) MAPTL3MBTL1SMN1; SMN2LMNAHSD17B10
SCHEMBL14090159 0.86 IKBKB (0.40) MAPTHSD17B10KMT2AKDM4EPTPN11
SCHEMBL14090143 0.86 KDM4E (0.41) MAPTSMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL14090134 0.86 HTT (0.40) MAPTSMN1; SMN2LMNAHSD17B10KMT2A
SCHEMBL14090127 0.84 PTPN11 (0.41) MAPTABCB1KDM4ECYP2C8CYP1A2
SCHEMBL14090004 0.84 IKBKB (0.42) MAPTABCB1KDM4ECYP2C8CYP1A2
SCHEMBL14090054 0.83 AXL (0.44) MAPTKDM4EPTPN11ALDH1A1HTT

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 MAPT 3154/4885L3MBTL1 4423/4885SMN1; SMN2 3752/4885

“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.