Sugi Predict

Sugi Predict / Compounds / SCHEMBL82044

SCHEMBL82044

SCHEMBL82044

O=C(NC1=Nc2cc(C(F)(F)F)ccc2C2=NCCN12)c1cncc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ KDR P35968 2/20 0.38
▸ SRPK2 P78362 1/20 0.38
▸ SRPK1 Q96SB4 1/20 0.38
▸ SRPK3 Q9UPE1 1/20 0.38
▸ USP36 Q9P275 4/20 0.37
▸ POLB P06746 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ DEGS1 O15121 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ PTAFR P25105 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ FAAH O00519 1/20 0.33

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
SCHEMBL29475027 1.00 CCNC (0.41) CCNCCDK8HSD17B10NPC1KDR
SCHEMBL86807 0.87 TSHR (0.50) HSD17B10NPC1KDRSRPK2SRPK1
SCHEMBL81597 0.84 PIK3CB (0.38) CCNCCDK8HSD17B10POLBTSHR
SCHEMBL87428 0.81 SMN1; SMN2 (0.42) NPC1HDAC8MEN1KMT2A
SCHEMBL87067 0.79 SRPK1 (0.49) SRPK1POLBMEN1TSHRKMT2A
SCHEMBL82555 0.79 SMN1; SMN2 (0.35) CCNCCDK8HSD17B10POLBMEN1
SCHEMBL81415 0.78 MAPT (0.47) NPC1POLBMEN1KMT2AGPR6
SCHEMBL83418 0.77 HDAC1 (0.44) NPC1MEN1KMT2AGPR6
SCHEMBL86622 0.74 CCNC (0.39) CCNCCDK8MEN1TSHRKMT2A
SCHEMBL86619 0.74 PIK3CB (0.40) CCNCCDK8NPC1MEN1TSHR

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 — — US claimed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US claimed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 — — EP claimed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 — — US claimed
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 — — EP claimed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 — — WO claimed
CN-109729716-B PI3K inhibitor combination 拜耳制药股份公司 2022-03-15 — — CN disclosed
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist BAYER CONSUMER CARE AG (CH) 2021-11-30 — — US disclosed
EP-3843743-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES Bayer AS (NO) 2021-07-07 — — EP disclosed
US-20210187134-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES BAYER AS (NO) 2021-06-24 — — US disclosed
US-10925880-B2 Combination of PI3K-inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-02-23 — — US disclosed
WO-2020164997-A1 COMBINATION OF PI3K-INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-20 — — WO disclosed
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST BAYER CONSUMER CARE AG (CH) 2020-07-16 — — US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 — — EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 — — EP disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 — — EP disclosed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 — — 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 (5 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-20210187134-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES PIK3CA, PIK3CD, PIK3CB CCNC 1282/4885CDK8 675/4885HSD17B10 2591/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 CCNC 742/4885CDK8 134/4885HSD17B10 408/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG CCNC 1948/4885CDK8 441/4885HSD17B10 3147/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 CCNC 335/4885CDK8 876/4885HSD17B10 2944/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA CCNC 1115/4885CDK8 178/4885HSD17B10 515/4885

“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.