SCHEMBL22643835

SCHEMBL22643835

CC(C)c1ccc2[nH]cc(C#N)c2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.51
▸ IMPDH1 P20839 1/20 0.51
▸ HTR1D P28221 3/20 0.51
▸ HTR1B P28222 2/20 0.49
▸ SLC6A4 P31645 10/20 0.48
▸ SLC6A2 P23975 3/20 0.45
▸ SLC6A3 Q01959 2/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ MCL1 Q07820 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ HASPIN Q8TF76 1/20 0.43

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
SCHEMBL18412741 0.87 IMPDH2 (0.51) IMPDH2IMPDH1HTR1DHTR1BSLC6A4
SCHEMBL6599646 0.77 IMPDH2 (0.56) IMPDH2IMPDH1HTR1DSLC6A4SLC6A2
SCHEMBL27831763 0.76 IMPDH2 (0.44) IMPDH2IMPDH1SLC6A4SLC6A2SLC6A3
SCHEMBL14827779 0.75 HTR1D (0.57) HTR1DHTR1BHTR2ACDK9
SCHEMBL15912345 0.75 HTR1D (0.57) HTR1DHTR1BHTR2A
SCHEMBL12376509 0.74 HTR1D (0.55) HTR1DHTR1BHTR2A
SCHEMBL22479037 0.74 HTR1D (0.55) HTR1DHTR1BHTR2AHASPIN
SCHEMBL2006656 0.74 IMPDH2 (0.56) IMPDH2IMPDH1HTR1DHTR1BSLC6A4
SCHEMBL12427125 0.74 IMPDH2 (0.56) IMPDH2IMPDH1SLC6A4SLC6A2SLC6A3
SCHEMBL186728 0.74 CSNK2A1 (0.58) IMPDH2IMPDH1SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169654-A1 New Organic Compounds SERVIER PHARMACEUTICALS LLC (US) 2022-06-02 — — US disclosed
US-20210355112-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2021-11-18 — — US disclosed
US-11091467-B2 Modulators of THR-β and methods of use thereof ALIGOS THERAPEUTICS, INC. (US) 2021-08-17 — — US disclosed
US-20200354345-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2020-11-12 — — 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 (4 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-20210355112-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR IMPDH2 2800/4885IMPDH1 2508/4885HTR1D 1537/4885
US-20200354345-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR IMPDH2 2800/4885IMPDH1 2508/4885HTR1D 1537/4885
US-20220169654-A1 New Organic Compounds MNAT1, MAT2A, EIF4A2 IMPDH2 1061/4885IMPDH1 1398/4885HTR1D 213/4885
US-11091467-B2 Modulators of THR-β and methods of use thereof THRB, THRA, TRHR IMPDH2 2881/4885IMPDH1 2599/4885HTR1D 1651/4885

“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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