SCHEMBL7326145

SCHEMBL7326145

Cc1nnsc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 4/20 0.51
EPHX2 P34913 5/20 0.50
TRPC3 Q13507 1/20 0.50
ORAI1 Q96D31 1/20 0.50
TRPC5 Q9UL62 1/20 0.50
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL7327153 0.87 CRACR2A (0.55) CRACR2AEPHX2TRPC3ORAI1TRPC5
SCHEMBL7318316 0.83 CRACR2A (0.51) CRACR2AEPHX2TRPC3ORAI1TRPC5
SCHEMBL7319978 0.82 CRACR2A (0.51) CRACR2ATRPC3ORAI1TRPC5LMNA
SCHEMBL7319689 0.81 EPHX2 (0.49) CRACR2AEPHX2TRPC3ORAI1TRPC5
SCHEMBL7315476 0.79 ORAI1 (0.75) CRACR2ATRPC3ORAI1TRPC5LMNA
SCHEMBL8261714 0.74 LMNA (0.54) CRACR2ATRPC3ORAI1TRPC5LMNA
SCHEMBL5204573 0.73 EPHX2 (0.52) EPHX2LMNAMAPTTEK
SCHEMBL7243350 0.72 ALDH1A1 (0.46) EPHX2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7234160 0.72 KDM4E (0.58) EPHX2LMNAMEN1KMT2AKDM4E
SCHEMBL7235236 0.72 EPHX2 (0.52) EPHX2MAPTTEKF9F10

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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US claimed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP claimed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO claimed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 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 (1 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 CRACR2A 3286/4885EPHX2 732/4885TRPC3 4362/4885

“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.