SCHEMBL4769730

SCHEMBL4769730

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 16/20 0.55
NR1I2 O75469 1/20 0.54
THRB P10828 1/20 0.54
FLT1 P17948 1/20 0.49
TEK Q02763 1/20 0.49
CHEK2 O96017 2/20 0.48
RPS6KA3 P51812 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48

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) NR1I3FLT1TEKCHEK2RPS6KA3
SCHEMBL4771935 0.86 TEK (0.59) NR1I3FLT1TEKCHEK2RPS6KA3
SCHEMBL4771368 0.86 NR1I3 (0.52) NR1I3NR1I2THRBFLT1TEK
SCHEMBL4767114 0.85 TEK (0.60) NR1I3NR1I2FLT1TEK
SCHEMBL22633879 0.84 NR1I3 (0.58) NR1I3NR1I2THRBFLT1TEK
SCHEMBL22633856 0.82 NR1I3 (0.60) NR1I3NR1I2THRBCHEK2RPS6KA3
SCHEMBL22633854 0.82 NR1I3 (0.60) NR1I3NR1I2THRBCHEK2RPS6KA3
SCHEMBL22633832 0.82 NR1I3 (0.54) NR1I3FLT1TEKCHEK2RPS6KA3
SCHEMBL22633918 0.82 NR1I3 (0.54) NR1I3NR1I2THRBFLT1TEK
SCHEMBL22633836 0.82 NR1I3 (0.54) NR1I3FLT1TEKCHEK2RPS6KA3

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 10 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-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 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 (4 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 532/4885NR1I2 408/4885THRB 2163/4885
US-20060069109-A1 Therapeutic agents TIE1, TEK, KDR NR1I3 2203/4885NR1I2 1244/4885THRB 844/4885
US-20200352915-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER CYP2A6, CYP2B6, CYP4A11 NR1I3 532/4885NR1I2 408/4885THRB 2163/4885
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 NR1I3 11/4885NR1I2 1/4885THRB 57/4885

“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.