SCHEMBL2944512

SCHEMBL2944512

C#Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.46
IDO1 P14902 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KDR P35968 1/20 0.43
NOTUM Q6P988 8/20 0.41
RAPGEF4 Q8WZA2 1/20 0.39
PDK1 Q15118 1/20 0.39
NPFFR2 Q9Y5X5 3/20 0.38
NPFFR1 Q9GZQ6 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL21776816 0.83 KIF11 (0.40) NOTUMTRPV4
SCHEMBL31038840 0.83 KIF11 (0.40) NOTUMTRPV4
SCHEMBL14656234 0.81 AR (0.49) PYCR1IDO1KDR
SCHEMBL2520644 0.80 KDR (0.51) PYCR1IDO1HTR3EHTR3BHTR3A
SCHEMBL16961215 0.80 IDO1 (0.43) PYCR1IDO1HTR3EHTR3BHTR3A
SCHEMBL628094 0.80 TRPV4 (0.57) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3457978 0.80 IDO1 (0.43) PYCR1IDO1HTR3EHTR3BHTR3A
SCHEMBL4927725 0.78 KIF11 (0.41) NOTUMTRPV4SLC22A12
SCHEMBL30967278 0.78 KIF11 (0.41) NOTUMTRPV4SLC22A12
SCHEMBL9793597 0.78 AR (0.39) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3843844-B1 COMPOUNDS UCL BUSINESS LTD (GB) 2024-08-28 EP disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
CN-1791592-B Immunosuppressant compounds and compositions IRM LLC 2012-07-04 CN disclosed
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US disclosed
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US disclosed
US-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 US disclosed
CN-1791592-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-21 CN disclosed
EP-1628967-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-01 EP disclosed
US-20050014725-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2005-01-20 US disclosed
WO-2005000833-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2005-01-06 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 PYCR1 1962/4885IDO1 2743/4885HTR3E 4752/4885
US-20050014725-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 PYCR1 480/4885IDO1 28/4885HTR3E 2545/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 PYCR1 480/4885IDO1 28/4885HTR3E 2545/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT PYCR1 1646/4885IDO1 4116/4885HTR3E 3699/4885

“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.