SCHEMBL3810286

SCHEMBL3810286

c1cc(Nc2ccc3[nH]ncc3c2)ncn1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.65
KDR P35968 7/20 0.58
ROCK2 O75116 9/20 0.57
MKNK1 Q9BUB5 1/20 0.56
ROCK1 Q13464 3/20 0.55
CDC7 O00311 1/20 0.53
IGF1R P08069 1/20 0.52

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
SCHEMBL8788878 0.80 CLK1 (0.58) MAPKAPK2KDRROCK2MKNK1ROCK1
SCHEMBL26715276 0.79 MAPKAPK2 (0.71) MAPKAPK2KDRROCK2ROCK1IGF1R
SCHEMBL6530324 0.79 MKNK1 (0.58) MAPKAPK2KDRROCK2MKNK1ROCK1
SCHEMBL20783989 0.79 MAPKAPK2 (1.00) MAPKAPK2KDRROCK2ROCK1IGF1R
SCHEMBL30611438 0.79 MKNK1 (0.58) MAPKAPK2KDRROCK2MKNK1ROCK1
SCHEMBL3459554 0.79 MAPKAPK2 (0.71) MAPKAPK2KDRROCK2ROCK1IGF1R
SCHEMBL22749728 0.77 KDR (0.65) MAPKAPK2KDRROCK2MKNK1ROCK1
SCHEMBL26717703 0.76 MAPKAPK2 (0.67) MAPKAPK2KDRROCK2ROCK1IGF1R
SCHEMBL6606097 0.76 MAPKAPK2 (0.67) MAPKAPK2KDRROCK2ROCK1IGF1R
SCHEMBL2772522 0.76 ROCK2 (0.62) ROCK2ROCK1

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
US-20190076464-A1 CYTIDINE DEAMINASE INHIBITORS FOR THE TREATMENT OF PANCREATIC CANCER INSERM OMSTOTIT NATIONAL DE LA SANTE ET DE LA RECH MEDICALE (FR) 2019-03-14 US disclosed
EP-3429597-A1 CYTIDINE DEAMINASE INHIBITORS FOR THE TREATMENT OF PANCREATIC CANCER (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) 2019-01-23 EP disclosed
WO-2017158050-A1 CYTIDINE DEAMINASE INHIBITORS FOR THE TREATMENT OF PANCREATIC CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-09-21 WO disclosed
US-8455471-B2 Compositions of CHK1 inhibitors and cyclodextrin ICOS CORPORATION (US) 2013-06-04 US disclosed
US-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN WISDOM WENDY A 2010-01-28 US disclosed
EP-2063879-A2 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN ICOS Corporation (US) 2009-06-03 EP disclosed
WO-2008067027-A2 COMPOSITIONS OF CHKL INHIBITORS AND CYCLODEXTRIN ICOS CORPORATION (US) 2008-06-05 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-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN CHEK1, CHEK2, DDB1 MAPKAPK2 1162/4885KDR 3949/4885ROCK2 2461/4885

“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.