SCHEMBL627198

SCHEMBL627198

CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(-c3nnc[nH]3)o2)c(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 6/20 0.36
EPAS1 Q99814 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
CNR1 P21554 1/20 0.34
MAPK14 Q16539 1/20 0.34
PTK2 Q05397 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL626895 0.94 PIK3C3 (0.39) PIK3C3TDP1SMN1; SMN2ABL1EPAS1
SCHEMBL9890626 0.91 PIK3C3 (0.35) PIK3C3ABL1MAPK14
SCHEMBL16167587 0.87 PIK3C3 (0.40) PIK3C3TDP1SMN1; SMN2ABL1EPAS1
SCHEMBL9106023 0.86 S1PR4 (0.35) PIK3C3ABL1MAPK14ALDH1A1
SCHEMBL9890038 0.85 AGPAT2 (0.38) PIK3C3TDP1SMN1; SMN2ABL1JAK2
SCHEMBL627636 0.85 ABL1 (0.47) SMN1; SMN2ABL1
SCHEMBL9888652 0.84 PIK3C3 (0.39) PIK3C3TDP1SMN1; SMN2ABL1CNR1
SCHEMBL9888752 0.84 USP2 (0.36) PIK3C3ABL1ALDH1A1
SCHEMBL9104256 0.83 PIK3C3 (0.40) PIK3C3TDP1SMN1; SMN2ABL1PIM1
SCHEMBL9104878 0.83 JAK1 (0.41) PIK3C3TDP1SMN1; SMN2ABL1JAK1

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-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
EP-2603216-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 PIK3C3 52/4885TDP1 860/4885SMN1; SMN2 4275/4885

“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.