SCHEMBL16201021

SCHEMBL16201021

CCc1cccc(C#Cc2cnc3cccnn23)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.43
ROR1 Q01973 3/20 0.40
DDR1 Q08345 6/20 0.40
DDR2 Q16832 1/20 0.40
CSF1R P07333 1/20 0.39
DYRK1A Q13627 1/20 0.36

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
SCHEMBL10207631 0.80 MKNK1 (0.44) ABL1ROR1DDR1CSF1RDYRK1A
SCHEMBL16201020 0.79 ABL1 (0.39) ABL1DDR1DDR2
SCHEMBL16201026 0.78 ABL1 (0.53) ABL1ROR1CSF1R
SCHEMBL17471694 0.78 ABL1 (0.53) ABL1ROR1CSF1R
SCHEMBL17471695 0.77 ABL1 (0.53) ABL1ROR1CSF1R
SCHEMBL29890013 0.73 MKNK1 (0.41) ABL1ROR1DDR1DDR2CSF1R
SCHEMBL23800981 0.73 MKNK1 (0.38) ABL1ROR1DDR1CSF1RDYRK1A
SCHEMBL588504 0.71 MKNK1 (0.44) ABL1ROR1DDR1CSF1RDYRK1A
SCHEMBL22369939 0.70 MKNK1 (0.46) ABL1ROR1DDR1CSF1RDYRK1A
SCHEMBL24491379 0.69 CSF1R (0.49) ABL1ROR1CSF1R

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 3 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-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

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 ABL1 1547/4885ROR1 1517/4885DDR1 2020/4885
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 ABL1 1547/4885ROR1 1517/4885DDR1 2020/4885

“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.