SCHEMBL4771368

SCHEMBL4771368

O=Cc1c(-c2ccc(Br)cc2)nc2sccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 5/20 0.52
RPS6KA3 P51812 4/20 0.48
CHEK2 O96017 2/20 0.48
TEK Q02763 6/20 0.45
KDR P35968 4/20 0.45
FLT1 P17948 4/20 0.44
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
FGFR1 P11362 1/20 0.42
FRK P42685 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3B P49841 1/20 0.42
CSNK1G2 P78368 1/20 0.42
PRKCD Q05655 1/20 0.42
ERBB4 Q15303 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42

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
SCHEMBL22633809 0.86 NPC1 (0.57) NR1I3RPS6KA3CHEK2TEKKDR
SCHEMBL4769730 0.86 NR1I3 (0.55) NR1I3RPS6KA3CHEK2TEKFLT1
SCHEMBL4771935 0.86 TEK (0.59) NR1I3RPS6KA3CHEK2TEKKDR
SCHEMBL4767114 0.85 TEK (0.60) NR1I3TEKKDRFLT1PTGS2
SCHEMBL13387977 0.82 NPC1 (0.60) NR1I3RPS6KA3CHEK2TEKKDR
SCHEMBL22633832 0.82 NR1I3 (0.54) NR1I3RPS6KA3CHEK2TEKKDR
SCHEMBL22633918 0.82 NR1I3 (0.54) NR1I3RPS6KA3CHEK2TEKKDR
SCHEMBL22633836 0.82 NR1I3 (0.54) NR1I3RPS6KA3CHEK2TEKKDR
SCHEMBL22633824 0.80 NR1I3 (0.55) NR1I3RPS6KA3CHEK2TEKKDR
SCHEMBL3644258 0.77 PRKD3 (0.42) NR1I3RPS6KA3CHEK2PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-20200352915-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-12 US disclosed
US-20200352915-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-12 US disclosed
EP-1575963-B1 ANTI-ANGIOGENETIC THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
US-20060069109-A1 Therapeutic agents ASTRAZENECA AB (SE) 2006-03-30 US disclosed
EP-1575963-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058776-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-15 WO 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-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 NR1I3 532/4885RPS6KA3 3707/4885CHEK2 1146/4885
US-20060069109-A1 Therapeutic agents TIE1, TEK, KDR NR1I3 2203/4885RPS6KA3 1401/4885CHEK2 957/4885
US-20200352915-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER CYP2A6, CYP2B6, CYP4A11 NR1I3 532/4885RPS6KA3 3707/4885CHEK2 1146/4885

“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.