SCHEMBL213848

SCHEMBL213848

Cc1ccc(N(C(=O)c2nc[nH]c2C(N)=O)c2nc3cc(OCC(=O)NC4CCCCC4)ccc3[nH]2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
P2RY12 Q9H244 3/20 0.36
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL214219 0.79 ALDH1A1 (0.40) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL214152 0.79 ALDH1A1 (0.38) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL215550 0.78 MAP2 (0.34) KMT2AMEN1LMNACYP1A2CYP2C19
SCHEMBL215289 0.78 ALK (0.34) SMN1; SMN2PDE3BPDE3AP2RY12ROCK2
SCHEMBL216235 0.77 KDM4E (0.38) HPGDNPC1RAB9ACYP1A2CYP3A4
SCHEMBL2735367 0.76 KMT2A (0.45) KMT2AMEN1LMNAHPGDNPC1
SCHEMBL213394 0.73 POLB (0.48) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL215755 0.73 CHEK2 (0.39) ROCK2ROCK1
Hydrochloric Acid SCHEMBL213649 0.72 CHEK2 (0.38) ROCK2ROCK1
SCHEMBL217127 0.71 HRH3 (0.37) MAPT

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.