SCHEMBL5751918

SCHEMBL5751918

CC1CCN(c2nc3ncncc3c(Cl)c2-c2c(F)cc(F)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
PTK2B Q14289 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
GRM5 P41594 2/20 0.35
SLC9A1 P19634 4/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
LCK P06239 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL5780048 0.83 GRM5 (0.39) MAPTTP53PTK2BSMN1; SMN2KMT2A
SCHEMBL14086451 0.79 SMN1; SMN2 (0.40) MAPTTP53PTK2BSMN1; SMN2POLB
SCHEMBL5751634 0.79 GRM5 (0.35) MAPTTP53PTK2BSMN1; SMN2KMT2A
SCHEMBL4718820 0.75
SCHEMBL5751959 0.73 ACLY (0.30)
SCHEMBL5750618 0.71 HRH4 (0.35) SMN1; SMN2KMT2AMEN1GRM5LMNA
SCHEMBL4815038 0.69 TSHR (0.42) MAPTTP53SMN1; SMN2KMT2ARAB9A
SCHEMBL408899 0.67 GLA (0.33) MAPTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL4718003 0.67 TP53 (0.35) TP53LMNAHTT
SCHEMBL13906840 0.66 GRM5 (0.36) SMN1; SMN2POLBTDP1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160811-A1 Aryl-condensed 3-arylpridine compounds and use thereof for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-07-20 US disclosed
EP-1648890-A2 ARYL-CONDENSED 3-ARYLPYRIDINE COMPOUNDS AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-04-26 EP disclosed
WO-2005010000-A2 ARYL-CONDENSED 3-ARYLPYRIDINE COMPOUNDS AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2005-02-03 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-20060160811-A1 Aryl-condensed 3-arylpridine compounds and use thereof for controlling pathogenic fungi CBR3, C1R, CBR1 MAPT 4678/4885TP53 3430/4885PTK2B 4286/4885

“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.