SCHEMBL214938

SCHEMBL214938

Cc1ccc(Cl)cc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL215203 0.91 STK33 (0.40) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL216491 0.91 NTRK1 (0.47) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL214337 0.89 NPSR1 (0.45) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL215893 0.89 MAPT (0.43) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL214714 0.89 MAPT (0.44) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL213500 0.89 NTRK1 (0.50) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL215084 0.88 MAPT (0.43) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL214139 0.88 MAPT (0.49) MAPTKDM4EHPGDTHRBSMN1; SMN2
SCHEMBL214895 0.88 MAPT (0.41) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL217226 0.86 MEN1 (0.48) MAPTALDH1A1KDM4EHPGDTHRB

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 8 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
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 MAPT 2138/4885ALDH1A1 4295/4885KDM4E 952/4885

“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.