SCHEMBL3028147

SCHEMBL3028147

Cc1cc(Nc2nc(N3CCCCC3)cn3ccnc23)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 8/20 0.52
▸ AURKA O14965 5/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NTRK1 P04629 2/20 0.37
▸ SYK P43405 1/20 0.36

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
SCHEMBL3038486 0.79 IGF1R (0.42) IGF1RAURKAAURKBJAK2PLK4
SCHEMBL3040346 0.75 AURKA (0.54) IGF1RAURKAAURKBSYK
SCHEMBL3031923 0.72 IGF1R (0.45) IGF1RAURKAAURKBRIPK1JAK2
SCHEMBL13220902 0.72 IGF1R (0.45) IGF1RAURKAAURKBRIPK1JAK2
SCHEMBL30353184 0.70 IGF1R (0.49) IGF1RAURKAAURKBRIPK1JAK2
SCHEMBL805610 0.69 IGF1R (0.56) IGF1RAURKAAURKBRIPK1JAK2
SCHEMBL30353173 0.69 IGF1R (0.53) IGF1RAURKAAURKBRIPK1JAK2
SCHEMBL30353131 0.69 IGF1R (0.53) IGF1RAURKAAURKBRIPK1JAK2
SCHEMBL22054515 0.67 TYK2 (0.49) JAK2
SCHEMBL30353161 0.67 IGF1R (0.51) IGF1RAURKAAURKBJAK2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 — — US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 — — US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 — — US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 — — US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 — — US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 — — US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 — — US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 — — US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 — — US disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 — — 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 (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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 IGF1R 787/4885AURKA 161/4885AURKB 122/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 IGF1R 787/4885AURKA 161/4885AURKB 122/4885

“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.

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