SCHEMBL14576703

SCHEMBL14576703

Cc1cccc(-c2c[nH]c(S(=O)(=O)Cc3ccccc3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ XDH P47989 1/20 0.42
▸ CCR1 P32246 1/20 0.42
▸ CCR8 P51685 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ DAO P14920 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ GLA P06280 1/20 0.35

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
SCHEMBL14577156 0.70 CCR1 (0.44) HPGDALDH1A1XDHCCR1CCR8
SCHEMBL14576626 0.69 ALDH1A1 (0.42) HPGDALDH1A1KDM4ECCR1CCR8
SCHEMBL14647508 0.68 CCR1 (0.64) CCR1CCR8METAP2TGFBR1
SCHEMBL30511194 0.65 CCR1 (1.00) HPGDALDH1A1KDM4ECCR1CCR8
SCHEMBL196966 0.65 CCR1 (1.00) HPGDALDH1A1KDM4ECCR1CCR8
SCHEMBL29388304 0.65 CCR1 (1.00) HPGDALDH1A1KDM4ECCR1CCR8
SCHEMBL20391837 0.64 CCR1 (0.57) XDHCCR1CCR8KMT2AMEN1
SCHEMBL20379821 0.64 CCR1 (0.47) ALDH1A1KDM4ECCR1CCR8SMN1; SMN2
SCHEMBL31678891 0.64 CCR1 (0.47) ALDH1A1KDM4ECCR1CCR8SMN1; SMN2
SCHEMBL28856048 0.64 CCR1 (0.43) HPGDALDH1A1KDM4ECCR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155763-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors TIUMBIO CO., LTD. (KR) 2018-12-18 — — US disclosed
EP-2731949-B1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS TIUMBIO CO LTD (KR) 2018-04-04 — — EP disclosed
EP-2731949-B1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS TIUMBIO CO LTD (KR) 2018-04-04 — — EP disclosed
EP-2731949-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS SK Chemicals Co., Ltd. (KR) 2014-05-21 — — EP disclosed
US-20130018052-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS SK CHEMICALS CO., LTD. (KR) 2013-01-17 — — US disclosed
US-20130018052-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS SK CHEMICALS CO., LTD. (KR) 2013-01-17 — — US disclosed
US-20130018052-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS SK CHEMICALS CO., LTD. (KR) 2013-01-17 — — US disclosed
WO-2013009140-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS SK CHEMICALS CO., LTD. (KR) 2013-01-17 — — 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 (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-10155763-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ACVR1, ACVRL1, ALK HPGD 3650/4885ALDH1A1 2182/4885KDM4E 336/4885
US-20130018052-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS ACVR1, ACVRL1, ALK HPGD 3650/4885ALDH1A1 2182/4885KDM4E 336/4885

“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.

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