SCHEMBL13097007

SCHEMBL13097007

Cn1ncc2c(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)cncc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
TP53 P04637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP11B2 P19099 1/20 0.44
GAA P10253 1/20 0.44
HTR2A P28223 1/20 0.44
KDR P35968 2/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL13096860 0.85 RAB9A (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL1499162 0.82 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13097009 0.82 LCLAT1 (0.49) MAPTALDH1A1TP53KDM4EGAA
SCHEMBL12322152 0.81 MMP9 (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL12322989 0.79 KDR (0.60) JAK2HTR2AKDRABL1LCK
SCHEMBL4218145 0.78 KDR (0.69) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL1499332 0.77 RAB9A (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13097211 0.76 BRAF (0.54) MEN1KMT2AMAPTRAB9AJAK1
SCHEMBL13821898 0.75 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL4229675 0.74 HTR2A (0.52) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261730-A1 ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 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-20100261730-A1 ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME ALK, ALKBH3, EDNRB MEN1 2287/4885KMT2A 3719/4885MAPT 4113/4885

“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.