SCHEMBL15020474

SCHEMBL15020474

CCn1nc(-c2cnccn2)cc1-c1cnc2[nH]c(C3CCCCC3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.35
ACHE P22303 1/20 0.35
ULK1 O75385 2/20 0.34
CDK9 P50750 10/20 0.33
CCNT1 O60563 1/20 0.32
CSF1R P07333 1/20 0.32
NPY5R Q15761 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL15020544 0.87 NPY5R (0.43) CHEK1ACHEULK1CDK9CCNT1
SCHEMBL15020476 0.78 BRD4 (0.43) ULK1
SCHEMBL15020834 0.77 PIK3C3 (0.35) CHEK1ACHE
SCHEMBL15020844 0.76 HTR2C (0.34) CHEK1ACHE
SCHEMBL15020536 0.71 ORAI1 (0.49) CHEK1ACHEULK1
SCHEMBL15060068 0.67 KIT (0.34)
SCHEMBL15750963 0.67 ULK1 (0.42) ULK1CSF1RHDAC3HDAC1HDAC2
SCHEMBL15020547 0.67 BRD4 (0.43) ULK1NPY5R
SCHEMBL25785674 0.66 CSF1R (0.47) ULK1CDK9CCNT1CSF1RNPY5R
SCHEMBL15020878 0.65 CYP19A1 (0.40) NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO claimed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US claimed
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 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 (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-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 CHEK1 3328/4885ACHE 1384/4885ULK1 1769/4885

“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.