SCHEMBL10149997

SCHEMBL10149997

Cc1cc(Nc2nc(-c3ccccc3)nc3c2CCN(Cc2ccccc2)C3)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.53
AURKA O14965 11/20 0.52
AURKB Q96GD4 7/20 0.52
SRC P12931 2/20 0.52
GSK3B P49841 2/20 0.52
EIF2AK2 P19525 1/20 0.52
GSK3A P49840 1/20 0.52
CFTR P13569 2/20 0.45
BRS3 P32247 1/20 0.44
ITK Q08881 1/20 0.43

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
SCHEMBL10186377 0.95 IGF1R (0.49) IGF1RAURKAAURKBSRCGSK3B
SCHEMBL10149993 0.95 AURKA (0.51) IGF1RAURKAAURKBSRCGSK3B
SCHEMBL10186371 0.88 CFTR (0.51) IGF1RAURKAAURKBSRCGSK3B
SCHEMBL12430748 0.86 IGF1R (0.54) IGF1RAURKAAURKBSRCGSK3B
SCHEMBL10186617 0.84 CFTR (0.50) IGF1RAURKAAURKBSRCGSK3B
SCHEMBL12430781 0.82 AURKA (0.47) IGF1RAURKAAURKBGSK3BGSK3A
SCHEMBL12430747 0.80 IGF1R (0.49) IGF1RAURKAAURKBSRCGSK3B
SCHEMBL801533 0.80 IGF1R (0.71) IGF1RAURKAAURKBSRCGSK3B
SCHEMBL801536 0.79 IGF1R (0.70) IGF1RAURKAAURKBSRCGSK3B
SCHEMBL12430751 0.79 AURKA (0.53) IGF1RAURKAAURKBSRCGSK3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 IGF1R 4782/4885AURKA 2842/4885AURKB 2809/4885

“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.