SCHEMBL14669397

SCHEMBL14669397

N#Cc1ccc2[nH]c(-c3ccc4[nH]c(C(F)(F)F)nc4c3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.54
KCNH2 Q12809 3/20 0.54
SOAT1 P35610 1/20 0.54
RHEB Q15382 1/20 0.50
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
CHEK2 O96017 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KIT P10721 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALOX15 P16050 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
SCHEMBL7655142 0.89 NPSR1 (0.53) DGAT1KCNH2SOAT1NPSR1KDM4E
SCHEMBL1842081 0.80 RHEB (0.59) DGAT1KCNH2SOAT1RHEBPKN1
SCHEMBL14669313 0.79 NPSR1 (0.45) DGAT1KCNH2SOAT1CHEK2NPSR1
SCHEMBL14669363 0.79 HPGD (0.47) DGAT1KCNH2SOAT1NPSR1KDM4E
SCHEMBL20982583 0.79 RHEB (0.70) DGAT1KCNH2SOAT1RHEBPKN1
SCHEMBL14669436 0.78 RHEB (0.51) DGAT1KCNH2SOAT1RHEBPKN1
SCHEMBL15245239 0.78 DGAT1 (0.81) DGAT1KCNH2SOAT1RHEBPKN1
SCHEMBL14669435 0.78 RHEB (0.51) DGAT1KCNH2SOAT1RHEBPKN1
SCHEMBL7655150 0.78 ALDH1A1 (0.58) DGAT1KCNH2SOAT1PKN1PKN2
SCHEMBL6061802 0.77 RHEB (0.57) DGAT1KCNH2SOAT1RHEBPKN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056887-B2 Minor groove binder phosphoramidites and methods of use ELITECH HOLDING B.V. (NL) 2015-06-16 US disclosed
US-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE ELITECH HOLDING B.V. 2013-01-31 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-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE PCNA, CD2BP2, BPGM DGAT1 3497/4885KCNH2 4673/4885SOAT1 3480/4885

“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.