SCHEMBL15096062

SCHEMBL15096062

CC(=O)c1ccc(C)c(C#Cc2cnc3cccnn23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 6/20 0.67
CSF1R P07333 2/20 0.67
ABL1 P00519 13/20 0.66
CYP3A4 P08684 2/20 0.55
KCNH2 Q12809 2/20 0.55
GAK O14976 1/20 0.55
MLNR O43193 1/20 0.55
RIPK2 O43353 1/20 0.55
JAK2 O60674 1/20 0.55
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
MAP4K4 O95819 1/20 0.55
EGFR P00533 1/20 0.55
NR3C1 P04150 1/20 0.55
ERBB2 P04626 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
PGR P06401 1/20 0.55
YES1 P07947 1/20 0.55

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
SCHEMBL589881 0.91 CSF1R (0.67) ROR1CSF1RABL1CYP3A4KCNH2
SCHEMBL29506341 0.91 CSF1R (0.67) ROR1CSF1RABL1CYP3A4KCNH2
SCHEMBL22243490 0.90 CSF1R (0.66) ROR1CSF1RABL1CYP3A4KCNH2
SCHEMBL29493472 0.90 CSF1R (0.66) ROR1CSF1RABL1CYP3A4KCNH2
SCHEMBL22580709 0.89 CSF1R (0.61) ROR1CSF1RABL1CYP3A4KCNH2
SCHEMBL30010219 0.88 CSF1R (0.72) ROR1CSF1RABL1CYP3A4KCNH2
SCHEMBL15088585 0.87 CSF1R (0.62) ROR1CSF1RABL1CYP3A4KCNH2
SCHEMBL19317721 0.84 ROR1 (0.79) ROR1CSF1RABL1CYP3A4KCNH2
SCHEMBL24123162 0.84 ABL1 (0.66) ROR1CSF1RABL1CYP3A4KCNH2
SCHEMBL17471717 0.83 CSF1R (0.57) ROR1CSF1RABL1CYP3A4KCNH2

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 4 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
US-20130178622-A1 Methods and Compositions for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2013-07-11 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 (3 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 ROR1 1517/4885CSF1R 1248/4885ABL1 1547/4885
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 ROR1 1517/4885CSF1R 1248/4885ABL1 1547/4885
US-20130178622-A1 Methods and Compositions for Treating Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MKI67 ROR1 4639/4885CSF1R 4566/4885ABL1 140/4885

“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.