SCHEMBL214739

SCHEMBL214739

NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(=O)Nc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
NPC1 O15118 4/20 0.48
POLB P06746 3/20 0.48
RAB9A P51151 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 4/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL213248 0.88 LCK (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL213526 0.86 SMN1; SMN2 (0.45) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL213455 0.84 EGLN1 (0.42) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL216808 0.82 TP53 (0.42) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL215132 0.82 CYP3A4 (0.44) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL215084 0.82 MAPT (0.43) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL214895 0.81 MAPT (0.41) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL215903 0.81 MAPT (0.54) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL214433 0.81 MEN1 (0.42) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL216500 0.80 CACNA1G (0.45) KMT2AMEN1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KMT2A 437/4885MEN1 3504/4885NPC1 3307/4885

“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.