SCHEMBL12156029

SCHEMBL12156029

Cc1cncc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.50
▸ ORAI1 Q96D31 4/20 0.50
▸ ORAI2 Q96SN7 1/20 0.49
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRNA7 P36544 1/20 0.39
▸ DEGS1 O15121 2/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL12241547 0.89 RAB9A (0.55) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL12241456 0.88 STIM1 (0.55) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL12156032 0.85 STIM1 (0.51) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL12155519 0.84 STIM1 (0.57) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL12241422 0.83 RAB9A (0.54) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL12155461 0.82 STIM1 (0.58) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL17049614 0.82 STIM1 (0.50) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL14885674 0.82 STIM1 (0.50) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL12155829 0.82 STIM1 (0.58) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL12156210 0.82 STIM1 (0.68) STIM1ORAI1ORAI2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008395-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. 2022-01-13 — — US disclosed
US-11129813-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2021-09-28 — — US disclosed
US-20200397758-A1 Antimitotic Amides for the Treatment of Cancer and Proliferative Disorders FROST BIOLOGIC, INC. 2020-12-24 — — US disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10772872-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2020-09-15 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
US-10016398-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2018-07-10 — — US disclosed
US-10016398-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2018-07-10 — — US disclosed
US-20170172984-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. (US) 2017-06-22 — — US disclosed
US-20170172984-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. (US) 2017-06-22 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
WO-2015127284-A2 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. (US) 2015-08-27 — — WO disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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 (10 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-20220008395-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS CCNA1, CCNE1, CCNB1 STIM1 4444/4885ORAI1 4149/4885ORAI2 4671/4885
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-10016398-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 STIM1 4444/4885ORAI1 4149/4885ORAI2 4671/4885
US-11129813-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 STIM1 4444/4885ORAI1 4149/4885ORAI2 4671/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-10772872-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 STIM1 4444/4885ORAI1 4149/4885ORAI2 4671/4885
US-20200397758-A1 Antimitotic Amides for the Treatment of Cancer and Proliferative Disorders CCNA1, CCNE1, CCNB1 STIM1 4444/4885ORAI1 4149/4885ORAI2 4671/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20170172984-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS CCNA1, CCNE1, CCNB1 STIM1 4444/4885ORAI1 4149/4885ORAI2 4671/4885

“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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