SCHEMBL16741472

SCHEMBL16741472

Nc1cc2cn[nH]c2cc1N1CCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.58
▸ ROCK2 O75116 5/20 0.42
▸ ROCK1 Q13464 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ CDC42BPB Q9Y5S2 1/20 0.39
▸ IP6K1 Q92551 1/20 0.38
▸ POLB P06746 2/20 0.37

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
SCHEMBL16741279 0.97 CHEK1 (0.58) CHEK1ROCK2ROCK1MEN1MAPT
SCHEMBL16741386 0.81 CHEK1 (0.46) CHEK1ROCK2ROCK1MEN1MAPT
SCHEMBL16751169 0.75 MAPT (0.48) MAPTALDH1A1HTTGAAAURKA
SCHEMBL29589219 0.74 CHEK1 (1.00) CHEK1ROCK2ROCK1MEN1MAPT
SCHEMBL2268059 0.74 CHEK1 (1.00) CHEK1ROCK2ROCK1MEN1MAPT
SCHEMBL28859155 0.73 POLB (0.42) CHEK1ROCK2ROCK1MEN1MAPT
SCHEMBL28294330 0.73 CHEK1 (0.95) CHEK1ROCK2ROCK1MEN1MAPT
SCHEMBL16751155 0.72 MAPT (0.51) MAPTALDH1A1HTTGAAAURKA
SCHEMBL16898912 0.71 ALDH1A1 (0.53) MAPTALDH1A1HTTGAAAURKA
SCHEMBL16899119 0.71 ALDH1A1 (0.53) MAPTALDH1A1HTTGAAAURKA

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-20160297833-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS Bayer Pharma AG (DE) 2016-10-13 — — US disclosed
EP-3071577-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-09-28 — — EP disclosed
WO-2015074986-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 — — WO disclosed
WO-2015074986-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 — — 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-20160297833-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS MKNK1, MKNK2, DTYMK CHEK1 200/4885ROCK2 1556/4885ROCK1 1937/4885

“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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