SCHEMBL21714217

SCHEMBL21714217

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CC=C(c3c[nH]c4ncncc34)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ GPR119 Q8TDV5 5/20 0.45
▸ JAK1 P23458 6/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 0.40
▸ GABRE P78334 1/20 0.40
▸ GABRA6 Q16445 1/20 0.40

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
SCHEMBL21714463 0.81 CCNT1 (0.52) CCNT1CDK9GPR119JAK1JAK2
SCHEMBL21714146 0.81 CCNT1 (0.61) CCNT1CDK9GPR119JAK1JAK2
SCHEMBL21714243 0.79 CDK9 (0.48) CCNT1CDK9JAK1JAK3GABRP
SCHEMBL21714212 0.78 HTR6 (0.48) CCNT1CDK9GPR119SCN9ANAMPT
SCHEMBL5635287 0.75 GRM1 (0.47) CCNT1CDK9JAK1GABRPGABRD
SCHEMBL21714627 0.73 CCNT1 (0.55) CCNT1CDK9GPR119JAK1NAMPT
SCHEMBL16150225 0.72 GABRP (0.52) CCNT1CDK9JAK1GABRPGABRD
SCHEMBL21714363 0.72 CCNT1 (0.50) CCNT1CDK9GPR119SCN9APDK4
SCHEMBL21714582 0.72 CCNT1 (0.49) CCNT1CDK9GPR119SCN9ABTK
SCHEMBL24331153 0.70 CDK9 (0.53) CCNT1CDK9JAK1GABRPGABRD

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 1396/4885GPR119 276/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO CCNT1 2652/4885CDK9 1409/4885GPR119 261/4885

“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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