SCHEMBL2735448

SCHEMBL2735448

Cc1ccc(Cl)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(OCC3CCNCC3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
MELK Q14680 2/20 0.37
ROCK2 O75116 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
ABL1 P00519 1/20 0.36
RAF1 P04049 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
SCHEMBL214375 0.94 ALDH1A1 (0.39) CHEK2ALDH1A1SMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL214583 0.94 ALDH1A1 (0.39) CHEK2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL10267512 0.91 CHEK2 (0.39) CHEK2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14222391 0.91 HRH4 (0.44) CHEK2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2735419 0.88 CHEK2 (0.41) CHEK2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2735440 0.87 CHEK2 (0.47) CHEK2ALDH1A1MAPTKMT2AMAPK1
SCHEMBL14222346 0.87 ALDH1A1 (0.40) CHEK2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL214621 0.85 ALDH1A1 (0.39) CHEK2ALDH1A1SMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL216278 0.85 ALDH1A1 (0.39) CHEK2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL216261 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A

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 2 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 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 CHEK2 412/4885ALDH1A1 4295/4885SMN1; SMN2 2516/4885

“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.