SCHEMBL1750136

SCHEMBL1750136

CCOC(=O)c1nc(Cl)nc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.40
BTK Q06187 5/20 0.38
MERTK Q12866 1/20 0.36
DRD2 P14416 4/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
DRD3 P35462 2/20 0.34
GPR119 Q8TDV5 2/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL1750135 1.00 IGF1R (0.40) IGF1RBTKMERTKDRD2MEN1
SCHEMBL22411350 0.85 KMT2A (0.47) IGF1RMEN1KMT2AGABBR2CYP1A2
SCHEMBL1749305 0.85 BTK (0.41) BTKMERTKDRD2CYP2C9CYP2C19
SCHEMBL1749302 0.85 BTK (0.41) BTKMERTKDRD2CYP2C9CYP2C19
SCHEMBL16202703 0.77 MERTK (0.49) BTKMERTKMEN1KMT2ACKS1B
SCHEMBL654797 0.71 LMNA (0.44) IGF1RMEN1KMT2A
SCHEMBL4256565 0.71 BTK (0.48) BTKMERTKDRD2KMT2ACKS1B
SCHEMBL4256566 0.71 BTK (0.48) BTKMERTKDRD2KMT2ACKS1B
SCHEMBL10156275 0.70 CYP2C9 (0.48) BTKMERTKDRD2KMT2ACYP2C9
SCHEMBL58060 0.70 PTGS1 (0.42) IGF1RMEN1KMT2ACYP1A2

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-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 US disclosed
US-7968556-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (2 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 IGF1R 576/4885BTK 22/4885MERTK 401/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC IGF1R 838/4885BTK 49/4885MERTK 535/4885

“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.