SCHEMBL17767646

SCHEMBL17767646

c1ccc(-c2cn3c(n2)CCC3)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 10/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ LMNA P02545 6/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ HTT P42858 3/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ GRM5 P41594 1/20 0.46
▸ CCR1 P32246 2/20 0.45
▸ CCR5 P51681 2/20 0.45
▸ CCR8 P51685 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ METAP1 P53582 1/20 0.45
▸ BLM P54132 1/20 0.45

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
SCHEMBL989261 0.78 WDR5 (1.00) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL7380842 0.76 WDR5 (0.65) WDR5ALDH1A1LMNANPC1RAB9A
SCHEMBL4839937 0.73 WDR5 (0.90) WDR5ALDH1A1LMNANPC1RAB9A
Bromide SCHEMBL9839171 0.72 WDR5 (0.71) WDR5ALDH1A1LMNANPC1RAB9A
Dipyridyl SCHEMBL29467582 0.70 KDM4E (0.93) ALDH1A1LMNANPC1RAB9AHTT
Dipyridyl SCHEMBL3796795 0.70 KDM4E (0.93) ALDH1A1LMNANPC1RAB9AHTT
Dipyridyl SCHEMBL721272 0.70 KDM4E (0.93) ALDH1A1LMNANPC1RAB9AHTT
Dipyridyl SCHEMBL722577 0.70 KDM4E (0.93) ALDH1A1LMNANPC1RAB9AHTT
Dipyridyl SCHEMBL11226497 0.68 KDM4E (0.70) ALDH1A1LMNANPC1RAB9AHTT
Dipyridyl SCHEMBL28879606 0.67 KDM4E (0.88) ALDH1A1LMNANPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207531-B Fused imidazole derivatives as TGF-beta inhibitors 里格尔药品股份有限公司 2021-05-25 — — CN disclosed
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 — — US disclosed
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 — — US disclosed
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-12-06 — — US disclosed
EP-3221318-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2017-09-27 — — EP disclosed
WO-2016081364-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-05-26 — — WO disclosed
WO-2016081364-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-05-26 — — 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-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 WDR5 3027/4885ALDH1A1 795/4885LMNA 1021/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 WDR5 3027/4885ALDH1A1 795/4885LMNA 1021/4885

“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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