SCHEMBL20001449

SCHEMBL20001449

CNc1cc(C(C)C)c(F)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.35
ABL1 P00519 1/20 0.33
IDH1 O75874 1/20 0.32
TDO2 P48775 1/20 0.32
RPS6KA3 P51812 2/20 0.32
KCNH2 Q12809 1/20 0.31
HCAR3 P49019 1/20 0.31
TGFBR1 P36897 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL23841756 0.78 NNMT (0.43) NNMTHCAR3
SCHEMBL23841368 0.77 NNMT (0.45) NNMTABL1KCNH2HCAR3
SCHEMBL20001452 0.75 RPS6KA3 (0.35) IDH1RPS6KA3TGFBR1P2RX3P2RX2
SCHEMBL22448665 0.74 NNMT (0.40) NNMTHCAR3
SCHEMBL29675930 0.74 L3MBTL1 (0.43) NNMTABL1HCAR3
SCHEMBL18101355 0.74 TLR8 (0.36) IDH1RPS6KA3P2RX3P2RX2ALOX5AP
SCHEMBL15076830 0.74 NNMT (0.50) NNMTABL1TDO2RPS6KA3KCNH2
SCHEMBL18068017 0.74 RPS6KA3 (0.38) IDH1RPS6KA3TGFBR1P2RX3P2RX2
SCHEMBL20010394 0.72 ALOX5AP (0.43) IDH1RPS6KA3P2RX3P2RX2ALOX5AP
SCHEMBL18488035 0.72 AAK1 (0.36) IDH1RPS6KA3TGFBR1P2RX3P2RX2

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-10227350-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-03-12 US disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057810-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 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-10227350-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT1 NNMT 1074/4885ABL1 239/4885IDH1 862/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 NNMT 1074/4885ABL1 239/4885IDH1 862/4885

“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.