SCHEMBL14225994

SCHEMBL14225994

Fc1ccccc1CNc1cnc(-c2c(C(F)(F)F)oc3c2CCCC3)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ VNN1 O95497 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TPH1 P17752 1/20 0.33
▸ PFKFB3 Q16875 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ STIM1 Q13586 2/20 0.31
▸ ORAI1 Q96D31 2/20 0.31
▸ NPY5R Q15761 1/20 0.30

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
SCHEMBL12241304 0.78 SMN1; SMN2 (0.44) KMT2AALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL14225982 0.78 PTGS2 (0.40) PKMMAP4K4ALDH1A1TPH1STIM1
SCHEMBL12241306 0.77 IL2 (0.45) KMT2AALDH1A1MEN1STIM1ORAI1
SCHEMBL12156186 0.76 SMN1; SMN2 (0.44) KMT2AALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL12156185 0.75 IL2 (0.45) KMT2AMEN1STIM1ORAI1
SCHEMBL14225985 0.74 ALDH1A1 (0.37) KMT2AVNN1MAP4K4ALDH1A1CYP1A2
SCHEMBL12155980 0.72 NPC1 (0.44) KMT2AALDH1A1CYP1A2KDM4EMEN1
SCHEMBL12155992 0.72 HDAC4 (0.37) KMT2AALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL16572613 0.71 IL2 (0.42) STIM1ORAI1
SCHEMBL14225983 0.70 TPH1 (0.37) KMT2AMAP4K4TPH1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 — — US disclosed
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 — — US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — 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-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885PKM 1872/4885VNN1 3653/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885PKM 1872/4885VNN1 3653/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885PKM 1872/4885VNN1 3653/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885PKM 1872/4885VNN1 3653/4885

“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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