SCHEMBL4015970

SCHEMBL4015970

Nc1ccc(Cl)c(NC(=O)CCCCl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.49
HDAC1 Q13547 7/20 0.48
HDAC8 Q9BY41 3/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
HDAC3 O15379 4/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43

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
SCHEMBL23412436 0.87 HTT (0.54) KDM4EATMMEN1KMT2APOLB
SCHEMBL11184364 0.83 ATM (0.48) KDM4EATMMEN1KMT2APOLB
SCHEMBL25223101 0.82 MEN1 (0.49) KDM4EATMMEN1KMT2APOLB
SCHEMBL4015815 0.79 KDM4E (0.54) KDM4EATMMEN1KMT2APOLB
SCHEMBL5220585 0.77 ALDH1A1 (0.63) KDM4EATMMEN1KMT2AHSD17B10
SCHEMBL11504409 0.76 ALDH1A1 (0.55) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL7104681 0.76 ALDH1A1 (0.53) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL24719726 0.76 KDM4E (0.52) KDM4EATMMEN1KMT2APOLB
SCHEMBL11290854 0.75 HSD17B10 (0.56) MEN1KMT2APOLBHDAC1HDAC8
SCHEMBL6161123 0.75 NPC1 (0.62) MEN1KMT2APOLBHDAC1HDAC8

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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 KDM4E 1310/4885ATM 38/4885MEN1 3321/4885

“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.