SCHEMBL485943

SCHEMBL485943

Nc1ccc(CNC(=O)Nc2ccc(-c3ncc(C(=O)NCCN4CCCCC4)c(Nc4ccccc4)n3)cc2F)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KIT P10721 1/20 0.41
HDAC1 Q13547 1/20 0.41
NAMPT P43490 6/20 0.39
POLB P06746 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
GSK3A P49840 1/20 0.38
SUV39H1 O43463 1/20 0.37
AURKA O14965 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL485970 0.91 ATR (0.43) ATRMEN1KMT2AKITHDAC1
SCHEMBL485922 0.89 KIT (0.42) MEN1KMT2AKITHDAC1NAMPT
SCHEMBL486431 0.89 MEN1 (0.41) MEN1KMT2AKITNAMPTTRPV1
SCHEMBL3722076 0.86 HDAC1 (0.47) HDAC1NAMPTPOLB
SCHEMBL3717766 0.81 KIT (0.36) ATRMEN1KMT2AKITNAMPT
SCHEMBL3051507 0.81 ATR (0.50) ATRMEN1KMT2AKITHDAC1
SCHEMBL485895 0.80 PIK3CA (0.44) MEN1KMT2AKITNAMPTTRPV1
SCHEMBL485908 0.80 PIK3CA (0.41) ATRMEN1KMT2AKITNAMPT
SCHEMBL485903 0.80 PIK3CA (0.41) ATRMEN1KMT2AKITNAMPT
SCHEMBL486114 0.79 MEN1 (0.41) ATRMEN1KMT2AKITNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US claimed
EP-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 EP claimed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
EP-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 EP 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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 ATR 3247/4885MEN1 560/4885KMT2A 2289/4885

“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.