SCHEMBL699876

SCHEMBL699876

Fc1cccc(F)c1-n1cccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
NPC1 O15118 1/20 0.44
NOTUM Q6P988 1/20 0.44
F2RL1 P55085 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
GRM5 P41594 2/20 0.41
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL27182505 0.87 F2RL1 (0.40) MAPK1NPC1NOTUMF2RL1KDM4E
SCHEMBL17068994 0.87 HCRTR1 (0.40) MAPK1NPC1NOTUMF2RL1KDM4E
SCHEMBL27819863 0.87 F2RL1 (0.47) MAPK1NPC1NOTUMF2RL1KDM4E
SCHEMBL5539875 0.82 GRM5 (0.40) MAPK1NPC1NOTUMF2RL1KDM4E
SCHEMBL15238045 0.82 LMNA (0.39) MAPK1NPC1NOTUMF2RL1KDM4E
SCHEMBL1586750 0.81 HCRTR1 (0.47) F2RL1LMNAJAK2TYK2HCRTR1
SCHEMBL5165206 0.81 KDM4E (0.44) MAPK1NPC1NOTUMF2RL1KDM4E
SCHEMBL26981447 0.78 KDM4E (0.41) MAPK1NPC1NOTUMF2RL1KDM4E
SCHEMBL12988403 0.78 KDM4E (0.50) MAPK1NOTUMF2RL1KDM4EALDH1A1
SCHEMBL17144712 0.78 NOTUM (0.48) MAPK1NOTUMF2RL1KDM4EALDH1A1

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
EP-2421834-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP claimed
CN-113226321-B Pyrazolyl compounds and methods of use thereof 阿利安制药有限责任公司 2024-12-17 CN disclosed
CN-114773314-A Biarylaminoguanidine derivative 上海拓界生物医药科技有限公司 2022-07-22 CN disclosed
CN-113226321-A Pyrazolyl compounds and methods of use thereof 阿利安制药有限责任公司 2021-08-06 CN disclosed
US-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity ARRIEN PHARMACEUTICALS LLC (US) 2021-07-06 US disclosed
US-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity ARRIEN PHARMACEUTICALS LLC (US) 2021-07-06 US disclosed
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF ARRIEN PHARMACEUTICALS LLC 2020-04-30 US disclosed
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF ARRIEN PHARMACEUTICALS LLC 2020-04-30 US disclosed
CN-109563048-A Process for preparing 3-amino-1- (2, 6-disubstituted phenyl) pyrazoles 拜耳农作物科学股份公司 2019-04-02 CN disclosed
CN-103140490-A Azaindazole compounds BRISTOL MYERS SQUIBB CO 2013-06-05 CN 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 (2 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-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity MELK, TK1, DCK MAPK1 249/4885NPC1 4132/4885NOTUM 4671/4885
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF PAICS, MCL1, TP53 MAPK1 1826/4885NPC1 1806/4885NOTUM 4570/4885

“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.