SCHEMBL18181774

SCHEMBL18181774

COc1ccccc1Nc1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 8/20 0.63
KMT2A Q03164 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MEN1 O00255 1/20 0.62
MAPK1 P28482 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 4/20 0.53
PKM P14618 1/20 0.53
CDC7 O00311 1/20 0.50
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
DCLK1 O15075 1/20 0.50
CHUK O15111 1/20 0.50
PDPK1 O15530 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
JAK2 O60674 1/20 0.50
ROCK2 O75116 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50

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
SCHEMBL481445 0.82 KMT2A (0.65) PIN1KMT2AL3MBTL1MEN1MAPK1
SCHEMBL3807294 0.82 PIN1 (0.59) PIN1MAPK1ALDH1A1MAPTCDC7
SCHEMBL30395442 0.80 LRRK2 (0.65) KMT2AALDH1A1MAPTABL1INSR
SCHEMBL2060438 0.80 LRRK2 (0.65) KMT2AALDH1A1MAPTABL1INSR
SCHEMBL1037559 0.80 PIN1 (0.65) PIN1KMT2AL3MBTL1MEN1MET
SCHEMBL21647422 0.80 PIN1 (0.62) PIN1KMT2AL3MBTL1MEN1MAPK1
SCHEMBL3814860 0.80 PIN1 (0.62) PIN1KMT2AMEN1MAPK1MAPT
SCHEMBL5408522 0.80 LRRK2 (0.65) KMT2AL3MBTL1MEN1MAPK1ALDH1A1
SCHEMBL27751334 0.79 MAPT (0.56) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL4520873 0.79 PIN1 (0.67) PIN1KMT2AMEN1MAPTJAK2

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-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-05-10 US disclosed
WO-2016169504-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF 广州再极医药科技有限公司 2016-10-27 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-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF PDK1, WEE1, DCK PIN1 657/4885KMT2A 1154/4885L3MBTL1 3939/4885

“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.