SCHEMBL616003

SCHEMBL616003

Cc1cc(-c2ncc3c(Cl)cccc3n2)cc(C)c1OCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.45
ABL1 P00519 2/20 0.45
YES1 P07947 2/20 0.45
KDR P35968 2/20 0.45
EPHB4 P54760 2/20 0.45
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
RET P07949 1/20 0.45
CYP3A4 P08684 1/20 0.45
PDGFRB P09619 1/20 0.45
CYP2D6 P10635 1/20 0.45
FGFR2 P21802 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
BRD4 O60885 1/20 0.41
IL17A Q16552 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL616299 0.87 POLB (0.54) SRCCYP2D6ALDH1A1HTR1DHTR1B
SCHEMBL618528 0.87 BRD4 (0.42) SRCABL1YES1KDREPHB4
SCHEMBL619316 0.84 SRC (0.45) SRCABL1YES1KDREPHB4
SCHEMBL619812 0.81 HTR1A (0.46) ALDH1A1HRH3BRD4IL17A
SCHEMBL616893 0.78 BRD4 (0.42) SRCYES1PDGFRBALDH1A1HRH3
SCHEMBL16516221 0.77 BRD4 (0.60) BRD4IL17APOLB
SCHEMBL618768 0.76 BRD4 (0.50) SRCHRH3BRD4IL17APOLB
SCHEMBL616086 0.76 BRD4 (0.52) SRCHRH3BRD4IL17APOLB
SCHEMBL619094 0.76 BRD4 (0.59) BRD4IL17APOLB
SCHEMBL618589 0.76 BRD4 (0.59) BRD4IL17APOLB

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-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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 (5 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-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SRC 2864/4885ABL1 4865/4885YES1 2701/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SRC 2560/4885ABL1 4837/4885YES1 2566/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SRC 2560/4885ABL1 4837/4885YES1 2566/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SRC 2864/4885ABL1 4865/4885YES1 2701/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SRC 2864/4885ABL1 4865/4885YES1 2701/4885

“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.