SCHEMBL8298640

SCHEMBL8298640

Cc1nnsc1C(=O)Nc1ccc(-n2c(C(F)(F)F)nnc2C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.64
ORAI1 Q96D31 1/20 0.64
TRPC5 Q9UL62 1/20 0.64
LMNA P02545 2/20 0.59
CRACR2A Q9BSW2 4/20 0.58
ALDH1A1 P00352 3/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.47
AGTR1 P30556 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.45
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2092143 0.85 LMNA (0.56) TRPC3ORAI1TRPC5LMNACRACR2A
SCHEMBL2094237 0.82 TRPC3 (0.52) TRPC3ORAI1TRPC5LMNACRACR2A
SCHEMBL7972108 0.82 LMNA (0.84) TRPC3ORAI1TRPC5LMNACRACR2A
SCHEMBL1828028 0.81 PKM (0.54) TRPC3ORAI1TRPC5LMNACRACR2A
SCHEMBL7314655 0.80 ORAI1 (0.81) TRPC3ORAI1TRPC5LMNACRACR2A
SCHEMBL7320623 0.79 ORAI1 (0.83) TRPC3ORAI1TRPC5LMNACRACR2A
SCHEMBL12637675 0.79 ORAI1 (0.83) TRPC3ORAI1TRPC5LMNACRACR2A
SCHEMBL676045 0.78 ORAI1 (1.00) TRPC3ORAI1TRPC5LMNACRACR2A
SCHEMBL6621449 0.78 LMNA (0.77) TRPC3ORAI1TRPC5LMNACRACR2A
SCHEMBL7325953 0.77 ORAI1 (0.80) TRPC3ORAI1TRPC5LMNACRACR2A

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-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO 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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 TRPC3 2002/4885ORAI1 1379/4885TRPC5 2164/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 TRPC3 2002/4885ORAI1 1379/4885TRPC5 2164/4885

“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.