SCHEMBL16572613

SCHEMBL16572613

O=C(Nc1cnc(-c2c(C(F)(F)F)oc3c2CCCC3)cn1)c1c(F)cncc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 10/20 0.42
▸ STIM1 Q13586 2/20 0.34
▸ ORAI1 Q96D31 2/20 0.34
▸ ORAI2 Q96SN7 1/20 0.34
▸ HDAC4 P56524 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 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
SCHEMBL12156184 0.98 IL2 (0.42) IL2STIM1ORAI1ORAI2HDAC4
SCHEMBL12241306 0.91 IL2 (0.45) IL2STIM1ORAI1ORAI2HCRTR1
SCHEMBL12156185 0.89 IL2 (0.45) IL2STIM1ORAI1ORAI2HCRTR1
SCHEMBL16572614 0.87 IL2 (0.47) IL2STIM1ORAI1ORAI2SMN1; SMN2
SCHEMBL16572586 0.86 IL2 (0.39) IL2HCRTR1SMN1; SMN2
SCHEMBL16572600 0.84 IL2 (0.47) IL2STIM1ORAI1ORAI2SMN1; SMN2
SCHEMBL12241304 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TP53
SCHEMBL12156194 0.84 IL2 (0.39) IL2HCRTR1SMN1; SMN2
SCHEMBL12156186 0.82 SMN1; SMN2 (0.44) SMN1; SMN2TP53
SCHEMBL12155992 0.80 HDAC4 (0.37) HDAC4HDAC6SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP 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
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 1/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 1/4885

“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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