SCHEMBL20979040

SCHEMBL20979040

Cc1cccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2ccc3ncsc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.45
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
GRM5 P41594 1/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
TGFBR1 P36897 4/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
UBE2N P61088 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.39
NAMPT P43490 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
SCHEMBL20979169 0.94 PFKFB3 (0.46) PFKFB3NPC1RAB9AMEN1KMT2A
SCHEMBL21129229 0.93 PFKFB3 (0.42) PFKFB3NPC1RAB9AMEN1KMT2A
SCHEMBL20979107 0.93 MEN1 (0.51) PFKFB3NPC1RAB9AMEN1KMT2A
SCHEMBL21129546 0.93 GFER (0.49) PFKFB3NPC1RAB9AMEN1KMT2A
SCHEMBL21129224 0.93 PFKFB3 (0.42) PFKFB3NPC1RAB9AMEN1KMT2A
SCHEMBL29526976 0.93 PFKFB3 (0.42) PFKFB3NPC1RAB9AMEN1KMT2A
SCHEMBL20978992 0.92 NPC1 (0.50) PFKFB3NPC1RAB9AMEN1KMT2A
SCHEMBL21129493 0.92 PFKFB3 (0.45) PFKFB3NPC1RAB9AMEN1KMT2A
SCHEMBL21129782 0.92 MEN1 (0.50) PFKFB3NPC1RAB9AMEN1KMT2A
SCHEMBL21129792 0.92 PFKFB3 (0.45) PFKFB3NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954232-B2 Pyrazole derivative as ALK5 inhibitor and uses thereof HANMI PHARMACEUTICAL CO., LTD. (KR) 2021-03-23 US disclosed
US-20190194198-A1 NOVEL PYRAZOLE DERIVATIVE AS ALK5 INHIBITOR AND USES THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 2019-06-27 US disclosed
EP-3480193-A1 NOVEL PYRAZOLE DERIVATIVE AS ALK5 INHIBITOR AND USES THEREOF Hanmi Pharmaceutical Co., Ltd. (KR) 2019-05-08 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 (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-20190194198-A1 NOVEL PYRAZOLE DERIVATIVE AS ALK5 INHIBITOR AND USES THEREOF ALK, SMAD3, TGFBR1 PFKFB3 1433/4885NPC1 4232/4885RAB9A 2714/4885
US-10954232-B2 Pyrazole derivative as ALK5 inhibitor and uses thereof ALK, SMAD3, TGFBR1 PFKFB3 1769/4885NPC1 3974/4885RAB9A 2687/4885

“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.