SCHEMBL6476530

SCHEMBL6476530

CNC1=NN=C(c2ccncc2)C1=NNc1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NAMPT P43490 2/20 0.34
BUB1 O43683 2/20 0.33
TDO2 P48775 2/20 0.33
CSF1R P07333 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
TGFBR1 P36897 1/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL922006 0.84 TDO2 (0.40) MAPTLMNAHPGDBLMCYP17A1
SCHEMBL922007 0.84 TDO2 (0.40) MAPTLMNAHPGDBLMCYP17A1
SCHEMBL923242 0.81 NAMPT (0.35) MAPTLMNAHPGDBLMCYP17A1
SCHEMBL923241 0.81 NAMPT (0.35) MAPTLMNAHPGDBLMCYP17A1
SCHEMBL925054 0.73 CSF1R (0.41) CYP17A1CYP11B1CYP11B2NAMPTCSF1R
SCHEMBL925055 0.73 CSF1R (0.41) CYP17A1CYP11B1CYP11B2NAMPTCSF1R
SCHEMBL922386 0.70 KMT2A (0.41) MAPTCYP11B1CYP11B2NAMPTTDO2
SCHEMBL922387 0.70 KMT2A (0.41) MAPTCYP11B1CYP11B2NAMPTTDO2
SCHEMBL922383 0.68 RAPGEF4 (0.38) MAPTHPGDTDO2MEN1PABPC1
SCHEMBL922439 0.68 DEPTOR (0.48) MAPTLMNAHPGDBUB1TDO2

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-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 US claimed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 MAPT 4573/4885LMNA 2013/4885HPGD 179/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC MAPT 4000/4885LMNA 561/4885HPGD 1273/4885

“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.