SCHEMBL3633066

SCHEMBL3633066

Cc1ccc(C)c(Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.63
MAPT P10636 5/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 1/20 0.55
TEAD1 P28347 2/20 0.54
APP P05067 1/20 0.52
GRIK1 P39086 1/20 0.52
IDH2 P48735 2/20 0.51
FFAR1 O14842 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK7 P50613 1/20 0.50
CCNH P51946 1/20 0.50
CCNA1 P78396 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL22719490 0.85 MPO (0.60) RAPGEF4MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL29504957 0.85 MPO (0.60) RAPGEF4MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL10215929 0.84 GAA (0.67) RAPGEF4MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL22731943 0.82 RAPGEF4 (0.56) RAPGEF4MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL9070348 0.82 RAPGEF4 (0.68) RAPGEF4MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL22719702 0.81 AKR1C3 (0.54) RAPGEF4MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL22719830 0.81 RAPGEF4 (0.52) RAPGEF4MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL12019820 0.81 NPSR1 (0.59) RAPGEF4MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL27933847 0.80 AKR1C3 (0.62) RAPGEF4MAPTHTTEPHB2DDR1
SCHEMBL8971887 0.80 APP (0.69) RAPGEF4MAPTGAASMN1; SMN2ALDH1A1

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
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
WO-2009076622-A2 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-18 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 (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-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof SOD1, TIMCC, TST RAPGEF4 1618/4885MAPT 3058/4885GAA 1562/4885

“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.