SCHEMBL213847

SCHEMBL213847

Cc1ccc(NC(=O)c2ncn(-c3nc4cc(OCC(=O)NC5CCCCC5)ccc4[nH]3)c2C(N)=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
P2RY12 Q9H244 3/20 0.37
MAPT P10636 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
SCHEMBL214151 0.80 NPC1 (0.37) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL2735367 0.79 KMT2A (0.45) KMT2AMEN1LMNAHPGDRAB9A
SCHEMBL214218 0.79 ALDH1A1 (0.40) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL215549 0.78 NPC1 (0.41) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL216894 0.78 MEN1 (0.36) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL217226 0.78 MEN1 (0.48) KMT2AMEN1LMNAHPGDRAB9A
SCHEMBL215788 0.77 MAPT (0.37) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL213393 0.74 MAPT (0.46) KMT2AMEN1LMNAHPGDRAB9A
SCHEMBL215754 0.74 KDM1A (0.42) LMNAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL215115 0.73 SMN1; SMN2 (0.48) LMNARAB9ANPC1POLBHTT

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
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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KMT2A 437/4885MEN1 3504/4885LMNA 4821/4885

“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.