SCHEMBL17802619

SCHEMBL17802619

COc1ncnc(Nc2ccc(C(N)=O)cc2)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.51
▸ F9 P00740 1/20 0.51
▸ PRMT1 Q99873 1/20 0.49
▸ CD38 P28907 2/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ CDC7 O00311 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ HIPK2 Q9H2X6 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ KDR P35968 3/20 0.46
▸ EGFR P00533 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ FLT1 P17948 1/20 0.45

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
SCHEMBL17802569 0.81 MKNK1 (0.57) MKNK1F9PRMT1CD38ROCK1
SCHEMBL17815595 0.81 PRMT1 (0.69) MKNK1F9PRMT1CD38CDC7
SCHEMBL17802611 0.80 MKNK1 (0.56) MKNK1F9PRMT1CD38ROCK1
SCHEMBL17802606 0.79 MKNK1 (0.54) MKNK1F9PRMT1CD38ROCK1
SCHEMBL17815689 0.78 MKNK1 (0.51) MKNK1F9PRMT1CD38ROCK1
SCHEMBL5569469 0.74 KDR (0.72) IRAK4KDREGFRFLT1
SCHEMBL17802597 0.74 RAB9A (0.60) KDREGFRMEN1KMT2ANPC1
SCHEMBL20680618 0.72 CD38 (0.64) CD38KDREGFR
SCHEMBL17815579 0.71 MKNK1 (0.52) MKNK1F9PRMT1CD38ROCK1
SCHEMBL4103737 0.71 F9 (0.52) MKNK1F9CD38CDC7ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226861-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS Centre National de la Recherche Scientifique (CNRS) (FR) 2017-10-11 — — EP claimed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 — — WO claimed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 — — US disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
EP-3226861-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS Centre National de la Recherche Scientifique (CNRS) (FR) 2017-10-11 — — EP disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 — — WO disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 — — 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 (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-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 MKNK1 4044/4885F9 1061/4885PRMT1 1940/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 MKNK1 4044/4885F9 1061/4885PRMT1 1940/4885

“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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