SCHEMBL21714463

SCHEMBL21714463

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CC=C(c3ncnc4[nH]ccc34)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ JAK1 P23458 14/20 0.49
▸ JAK2 O60674 8/20 0.49
▸ JAK3 P52333 6/20 0.49
▸ TYK2 P29597 3/20 0.49
▸ LIMK1 P53667 2/20 0.46
▸ LIMK2 P53671 2/20 0.46
▸ GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL21714146 0.87 CCNT1 (0.61) CCNT1CDK9JAK1JAK2JAK3
SCHEMBL30595975 0.85 JAK1 (0.58) JAK1JAK2JAK3TYK2LIMK1
SCHEMBL4006126 0.85 JAK1 (0.58) JAK1JAK2JAK3TYK2LIMK1
SCHEMBL21714627 0.81 CCNT1 (0.55) CCNT1CDK9JAK1GPR119
SCHEMBL21714217 0.81 CCNT1 (0.51) CCNT1CDK9JAK1JAK2JAK3
SCHEMBL21714335 0.80 JAK1 (0.61) JAK1JAK2JAK3TYK2
SCHEMBL21714346 0.78 CCNT1 (0.45) CCNT1CDK9GPR119
SCHEMBL21714165 0.75 JAK1 (0.59) CCNT1CDK9JAK1JAK2JAK3
SCHEMBL23029209 0.73 JAK1 (0.75) JAK1JAK2JAK3TYK2
SCHEMBL14594852 0.73 LIMK1 (0.63) CDK9JAK1JAK2JAK3LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 — — US claimed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 — — US claimed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 — — US disclosed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 — — US disclosed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 — — US 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO CCNT1 2705/4885CDK9 1396/4885JAK1 119/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO CCNT1 2652/4885CDK9 1409/4885JAK1 107/4885

“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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