SCHEMBL14577156

SCHEMBL14577156

Cc1cccc(-c2c[nH]c(SCc3ccccc3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.44
▸ CCR8 P51685 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ XDH P47989 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ PPARG P37231 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL6629853 0.79 HTT (0.50) ALDH1A1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL31404939 0.71 LMNA (0.50) ALDH1A1TDP1RAB9ANPC1KMT2A
SCHEMBL2408695 0.71 LMNA (0.50) ALDH1A1TDP1RAB9ANPC1KMT2A
SCHEMBL6628026 0.70 LMNA (0.52) ALDH1A1TDP1KMT2ASMN1; SMN2HPGD
SCHEMBL14576703 0.70 HPGD (0.47) CCR1CCR8ALDH1A1KMT2ASMN1; SMN2
SCHEMBL14647508 0.70 CCR1 (0.64) CCR1CCR8
SCHEMBL6623681 0.70 RAB9A (0.47) ALDH1A1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL10786966 0.69 RAB9A (0.44) ALDH1A1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL17106896 0.69 KMT2A (0.39) ALDH1A1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL3715462 0.69 HPGD (0.45) ALDH1A1RAB9ANPC1KMT2ASMN1; SMN2

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 6 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-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS SK Chemicals Co., Ltd. (KR) 2014-05-21 — — EP disclosed
CN-103764655-A 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO LTD 2014-04-30 — — CN 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 CCR1 1606/4885CCR8 2174/4885ALDH1A1 2182/4885
US-20130018052-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS ACVR1, ACVRL1, ALK CCR1 1606/4885CCR8 2174/4885ALDH1A1 2182/4885

“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.

Send feedback