SCHEMBL3607555

SCHEMBL3607555

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nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
ITGB1 P05556 3/20 0.33
ITGA5 P08648 3/20 0.33
MAPT P10636 1/20 0.32
RIPK1 Q13546 2/20 0.32
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
POLB P06746 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL20471528 1.00 AR (0.34) ARITGB1ITGA5MAPTRIPK1
SCHEMBL3336957 1.00 AR (0.34) ARITGB1ITGA5MAPTRIPK1
SCHEMBL22978565 1.00 AR (0.34) ARITGB1ITGA5MAPTRIPK1
SCHEMBL23186706 0.76 CHRM2 (0.44) MAPT
SCHEMBL22990239 0.76 CHRM2 (0.44) MAPT
SCHEMBL2197903 0.72 POLB (0.32) ITGB1ITGA5MAPTPOLB
SCHEMBL27084528 0.71 MME (0.40) MAPTRIPK1POLBSIGMAR1
SCHEMBL10387196 0.70 HTR2C (0.51)
SCHEMBL13874737 0.70
SCHEMBL13874735 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373822-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS Theras Inc. (US) 2024-05-29 EP disclosed
WO-2024030633-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS THERAS, INC. (US) 2024-02-08 WO disclosed
WO-2023130117-A1 DEUTERATED ORGANIC COMPOUNDS AND USES THEREOF ENGRAIL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
WO-2023004102-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-01-26 WO disclosed
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 AR 1/4885ITGB1 2210/4885ITGA5 1320/4885
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 AR 3039/4885ITGB1 2869/4885ITGA5 3472/4885
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 AR 3506/4885ITGB1 4353/4885ITGA5 3254/4885

“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.