SCHEMBL16201030

SCHEMBL16201030

BrCCC#Cc1cnc2cccnn12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.41
CSF1R P07333 1/20 0.39
ROR1 Q01973 3/20 0.35
DYRK1A Q13627 2/20 0.35
ABL1 P00519 8/20 0.35
DDR1 Q08345 4/20 0.33
KLK7 P49862 1/20 0.33

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
SCHEMBL22369939 0.76 MKNK1 (0.46) MKNK1CSF1RROR1DYRK1AABL1
SCHEMBL16704334 0.76 MKNK1 (0.46) MKNK1CSF1RROR1DYRK1AABL1
SCHEMBL588504 0.74 MKNK1 (0.44) MKNK1CSF1RROR1DYRK1AABL1
SCHEMBL10207631 0.74 MKNK1 (0.44) MKNK1CSF1RROR1DYRK1AABL1
SCHEMBL29890013 0.73 MKNK1 (0.41) MKNK1CSF1RROR1DYRK1AABL1
SCHEMBL24496139 0.73 MKNK1 (0.43) MKNK1CSF1RROR1DYRK1AABL1
SCHEMBL588691 0.73 MKNK1 (0.49) MKNK1CSF1RROR1DYRK1AABL1
SCHEMBL19840388 0.73 MKNK1 (0.49) MKNK1DYRK1AKLK7
SCHEMBL17471712 0.72 ABL1 (0.51) CSF1RROR1ABL1DDR1
SCHEMBL16085053 0.70 MKNK1 (0.46) MKNK1CSF1RDYRK1AABL1KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725452-B2 Substituted indoles and pyrroles as RIP kinase inhibitors PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-9725452-B2 Substituted indoles and pyrroles as RIP kinase inhibitors PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
US-20140323489-A1 HYBRID NECROPTOSIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-30 US disclosed
US-20140323489-A1 HYBRID NECROPTOSIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-30 US 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-20140323489-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 MKNK1 137/4885CSF1R 1248/4885ROR1 1517/4885
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 MKNK1 137/4885CSF1R 1248/4885ROR1 1517/4885

“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.