SCHEMBL8700796

SCHEMBL8700796

Cc1nc(-c2ccccc2F)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.66
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
HTR3A P46098 1/20 0.51
VCP P55072 1/20 0.50
GRM5 P41594 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
GSTO1 P78417 1/20 0.48
SCN9A Q15858 1/20 0.46
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL13002992 0.86 MPL (0.49) MPLNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1765087 0.86 MPL (0.49) MPLNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8239502 0.83 MPL (0.51) MPLNPC1RAB9ASMN1; SMN2GAA
SCHEMBL19195983 0.82 SCN9A (0.64) MPLNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12206495 0.81 RAB9A (0.49) MPLNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8698425 0.81 ATP4A (0.57) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL11961418 0.81 HTR1B (0.44) MPLNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19625307 0.81 MPL (0.60) MPLNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL44739 0.79 MPL (1.00) MPLNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3775075 0.79 MPL (0.68) MPLNPC1RAB9ASMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2020002090-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
WO-1998017631-A2 SUBSTITUTED OXIME-ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-04-30 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 (5 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA MPL 4448/4885NPC1 1595/4885RAB9A 2635/4885
US-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 MPL 2916/4885NPC1 1078/4885RAB9A 1416/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 MPL 2005/4885NPC1 2489/4885RAB9A 3162/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 MPL 986/4885NPC1 2024/4885RAB9A 2641/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 MPL 986/4885NPC1 2024/4885RAB9A 2641/4885

“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.