SCHEMBL10201309

SCHEMBL10201309

Cn1nc(-c2ncco2)cc1-c1ncc(NC(=O)c2ccccc2Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.42
ORAI1 Q96D31 3/20 0.42
POLB P06746 1/20 0.39
DCTPP1 Q9H773 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP11B2 P19099 1/20 0.38
RAB9A P51151 2/20 0.38
CSF1R P07333 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
SMO Q99835 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL10255600 0.90 STIM1 (0.42) STIM1ORAI1SMN1; SMN2RAB9ACSF1R
SCHEMBL10201306 0.89 STIM1 (0.54) STIM1ORAI1POLBSMN1; SMN2RAB9A
SCHEMBL10201322 0.86 LCLAT1 (0.44) STIM1ORAI1POLBDCTPP1SMN1; SMN2
SCHEMBL10201301 0.83 STIM1 (0.61) STIM1ORAI1POLBDCTPP1SMN1; SMN2
SCHEMBL10201307 0.83 STIM1 (0.49) STIM1ORAI1POLBDCTPP1SMN1; SMN2
SCHEMBL10201314 0.83 IL2 (0.51) STIM1ORAI1
SCHEMBL10201519 0.78 STIM1 (0.58) STIM1ORAI1POLBDCTPP1RAB9A
SCHEMBL10201305 0.75 STIM1 (0.53) STIM1ORAI1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10201296 0.75 STIM1 (0.71) STIM1ORAI1POLBSMN1; SMN2RAB9A
SCHEMBL10256219 0.73 STIM1 (0.49) STIM1ORAI1POLBRAB9ACSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885POLB 4774/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885POLB 4774/4885

“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.