SCHEMBL17471712

SCHEMBL17471712

Cc1ccc(CCBr)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.51
CSF1R P07333 2/20 0.51
ROR1 Q01973 3/20 0.49
RIPK1 Q13546 3/20 0.49
RIPK2 O43353 2/20 0.49
RIPK3 Q9Y572 2/20 0.49
CYP3A4 P08684 2/20 0.43
KCNH2 Q12809 2/20 0.43
ABL2 P42684 2/20 0.43
GAK O14976 1/20 0.43
MLNR O43193 1/20 0.43
JAK2 O60674 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.43
NR3C1 P04150 1/20 0.43
ERBB2 P04626 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL17471701 0.93 RIPK1 (0.52) ABL1CSF1RROR1RIPK1RIPK2
SCHEMBL17471724 0.92 RIPK1 (0.52) ABL1CSF1RROR1RIPK1RIPK2
SCHEMBL17471714 0.89 ABL1 (0.54) ABL1CSF1RROR1RIPK1RIPK2
SCHEMBL17471718 0.87 ABL1 (0.52) ABL1CSF1RROR1RIPK1RIPK2
SCHEMBL17471706 0.86 RIPK1 (0.52) ABL1CSF1RROR1RIPK1RIPK2
SCHEMBL16085054 0.86 RIPK1 (0.52) ABL1CSF1RROR1RIPK1RIPK2
SCHEMBL17471723 0.85 RIPK1 (0.52) ABL1CSF1RROR1RIPK1RIPK2
SCHEMBL17471732 0.84 ABL1 (0.46) ABL1CSF1RROR1RIPK1RIPK2
SCHEMBL17471717 0.80 CSF1R (0.57) ABL1CSF1RROR1CYP3A4KCNH2
SCHEMBL14705592 0.80 CSF1R (0.55) ABL1CSF1RROR1CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 ABL1 1547/4885CSF1R 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.