SCHEMBL16572600

SCHEMBL16572600

Cc1oc2c(c1-c1cnc(NC(=O)c3c(F)cncc3F)cn1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.47
▸ STIM1 Q13586 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16572614 0.98 IL2 (0.47) IL2STIM1ORAI1ORAI2MAPT
SCHEMBL12241322 0.91 IL2 (0.50) IL2STIM1ORAI1ORAI2MAPT
SCHEMBL12241307 0.89 IL2 (0.50) IL2STIM1ORAI1ORAI2MAPT
SCHEMBL12156184 0.87 IL2 (0.42) IL2STIM1ORAI1ORAI2
SCHEMBL16572613 0.84 IL2 (0.42) IL2STIM1ORAI1ORAI2SMN1; SMN2
SCHEMBL16572615 0.84 IL2 (0.42) IL2MAPTTSHRALDH1A1CYP2C9
SCHEMBL12241323 0.84 SMN1; SMN2 (0.50) IL2MAPTALDH1A1NPSR1NPC1
SCHEMBL16572589 0.82 IL2 (0.42) IL2MAPTTSHRALDH1A1CYP2C9
SCHEMBL12241312 0.82 SMN1; SMN2 (0.50) IL2MAPTALDH1A1LMNANPSR1
SCHEMBL16572617 0.81 IL2 (0.44) IL2STIM1ORAI1ORAI2MAPT

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-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-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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