SCHEMBL18876113

SCHEMBL18876113

CC(C)c1cc(C#N)c2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 4/20 0.43
▸ IMPDH2 P12268 1/20 0.39
▸ IMPDH1 P20839 1/20 0.39
▸ CYP19A1 P11511 1/20 0.33
▸ IKBKB O14920 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ CHEK1 O14757 2/20 0.32
▸ XDH P47989 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ PRKCQ Q04759 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ TAF1 P21675 1/20 0.31
▸ BRPF1 P55201 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ CECR2 Q9BXF3 1/20 0.31
▸ BRD9 Q9H8M2 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL18876088 0.77 IMPDH2 (0.42) MCL1IMPDH2IMPDH1IKBKBCHUK
SCHEMBL20884028 0.77 — —
SCHEMBL21729420 0.76 MCL1 (0.44) MCL1XDH
SCHEMBL1420429 0.75 AHR (0.47) MCL1IMPDH2IMPDH1IKBKBCHUK
SCHEMBL13052355 0.75 LMNA (0.39) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL14329071 0.75 GABRA1 (0.38) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL31357932 0.75 AHR (0.47) MCL1IMPDH2IMPDH1IKBKBCHUK
SCHEMBL25239348 0.74 AHR (0.46) MCL1IMPDH2IMPDH1IKBKBCHUK
SCHEMBL20667383 0.74 GABRA1 (0.41) IKBKBCHUKXDHSLC22A12PTGS2
SCHEMBL18876058 0.74 SLC6A2 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 — — US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 — — US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 — — US disclosed
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 — — US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 — — US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 — — US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 — — US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 — — US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 — — US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 — — US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 — — US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 — — US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 — — 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 MCL1 1275/4885IMPDH2 4164/4885IMPDH1 4115/4885
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 MCL1 143/4885IMPDH2 791/4885IMPDH1 815/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 MCL1 102/4885IMPDH2 696/4885IMPDH1 577/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 MCL1 1275/4885IMPDH2 4164/4885IMPDH1 4115/4885

“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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