SCHEMBL1838419

SCHEMBL1838419

Nc1cc(-c2cc3c(-c4ccnc(N)c4)ccnc3[nH]2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.47
▸ DYRK1A Q13627 6/20 0.47
▸ TBK1 Q9UHD2 3/20 0.45
▸ CHUK O15111 4/20 0.44
▸ INSR P06213 4/20 0.44
▸ MAPK8 P45983 4/20 0.44
▸ CAMKK2 Q96RR4 4/20 0.44
▸ CLK2 P49760 3/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ CLK3 P49761 1/20 0.42

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
SCHEMBL1838178 0.91 CDC7 (0.51) CDC7DYRK1ACHUKINSRMAPK8
SCHEMBL1841792 0.89 EGFR (0.53) CHUKINSRMAPK8CAMKK2EGFR
SCHEMBL1841326 0.87 AURKA (0.48) DYRK1ATBK1CHUKINSRMAPK8
SCHEMBL1840172 0.85 CHUK (0.56) CDC7TBK1CHUKINSRMAPK8
SCHEMBL1840513 0.85 GSK3B (0.46) CDC7DYRK1ATBK1CLK2MAPT
SCHEMBL1842220 0.84 CCNK (0.58) DYRK1ATBK1CLK2EGFRMAPT
SCHEMBL1840648 0.84 CHUK (0.60) CDC7CHUKINSRMAPK8CAMKK2
SCHEMBL1840354 0.83 CDC7 (0.52) CDC7DYRK1APIK3C3MAPT
SCHEMBL1836679 0.81 PIK3CD (0.46) CDC7DYRK1ACHUKINSRMAPK8
SCHEMBL31240700 0.77 CLK2 (0.58) DYRK1ATBK1CLK2CLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011526931-A — — 2011-10-20 — — JP claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US claimed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 — — EP claimed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 — — WO claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 — — 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 CDC7 79/4885DYRK1A 546/4885TBK1 1295/4885

“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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