SCHEMBL22568631

SCHEMBL22568631

Cn1cc(-c2cc3c(N4CCN(C(=O)CC#N)CC4)ccnc3[nH]2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 7/20 0.48
▸ TBK1 Q9UHD2 4/20 0.47
▸ JAK1 P23458 3/20 0.44
▸ AURKA O14965 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ INCENP Q9NQS7 2/20 0.44
▸ TPX2 Q9ULW0 2/20 0.44
▸ JAK2 O60674 3/20 0.43
▸ CCNT1 O60563 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ RET P07949 1/20 0.41

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
SCHEMBL22568621 0.89 KIT (0.51) KITAURKAAURKBINCENPTPX2
SCHEMBL20928385 0.86 KIT (0.51) KITAURKAAURKBINCENPTPX2
SCHEMBL20928313 0.86 KIT (0.49) KITAURKAAURKBINCENPTPX2
SCHEMBL22568655 0.85 KIT (0.50) KITTBK1AURKAAURKBINCENP
SCHEMBL20928120 0.85 KIT (0.50) KITTBK1AURKAAURKBINCENP
SCHEMBL20927917 0.85 KIT (0.45) KITTBK1AURKAAURKBINCENP
SCHEMBL20927905 0.85 KIT (0.53) KITAURKAAURKBINCENPTPX2
SCHEMBL22568638 0.85 KIT (0.47) KITAURKAAURKBINCENPTPX2
SCHEMBL20928145 0.84 KIT (0.51) KITAURKAAURKBINCENPTPX2
SCHEMBL22568639 0.83 ALDH1A1 (0.51) KITTBK1AURKAAURKBINCENP

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-11236086-B2 Substituted pyrrolopyridines as inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2022-02-01 — — US disclosed
US-20200331908-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2020-10-22 — — 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-11236086-B2 Substituted pyrrolopyridines as inhibitors of activin receptor-like kinase ALK, ACVR1, ACVR2A KIT 318/4885TBK1 397/4885JAK1 1231/4885
US-20200331908-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ALK, ACVR1, ACVR2A KIT 318/4885TBK1 397/4885JAK1 1231/4885

“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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