SCHEMBL938243

SCHEMBL938243

CC(Br)c1nc2c(c(Br)nn2C)c(=O)n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.61
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 8/20 0.38
ALDH1A3 P47895 8/20 0.38
ALDH1A2 O94788 7/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
PIK3R1 P27986 1/20 0.34

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
SCHEMBL938576 0.77 PIK3CD (1.00) PIK3CDPIK3R1
SCHEMBL3620930 0.77 PIK3CD (0.48) PIK3CDSMN1; SMN2ALDH1A1ALDH1A3ALDH1A2
SCHEMBL17718372 0.75 SMN1; SMN2 (0.47) PIK3CDCYP1A2CYP2C9SMN1; SMN2NPSR1
SCHEMBL940736 0.74 PIK3CD (0.56) PIK3CDALDH1A1ALDH1A3ALDH1A2PIK3R1
SCHEMBL22854757 0.72 PIK3CB (0.48) PIK3CDCYP1A2CYP2C9SMN1; SMN2NPSR1
SCHEMBL22854483 0.72 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1
SCHEMBL22854703 0.71 PIK3CG (0.55) PIK3CDPIK3R1
SCHEMBL22854676 0.71 PIK3CD (0.61) PIK3CDPIK3R1
SCHEMBL17718365 0.70 SMN1; SMN2 (0.47) PIK3CDCYP1A2CYP2C9SMN1; SMN2NPSR1
SCHEMBL17718358 0.70 PIK3CD (0.40) PIK3CDCYP1A2CYP2C9SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 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-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA PIK3CD, PI4KB, PI4KA PIK3CD 1/4885CYP1A2 3964/4885CYP2C9 3606/4885

“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.