SCHEMBL13634926

SCHEMBL13634926

CN1CCOCC1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
DPP4 P27487 1/20 0.43
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 1/20 0.42
AGTR2 P50052 1/20 0.42
ATM Q13315 1/20 0.42

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
Ammonia Solution, Strong SCHEMBL29690297 0.88 SLC6A4 (0.40) PIK3CAPIK3CDPIK3CBPIK3CGATM
SCHEMBL4239367 0.87 KMT2A (0.49)
SCHEMBL4236848 0.84 CAPN1 (0.41)
SCHEMBL22547624 0.83
SCHEMBL19867145 0.81 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGDPP4
SCHEMBL25733592 0.81 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGDPP4
SCHEMBL28176946 0.80 TAAR1 (0.42) POLBSIGMAR1TSHR
SCHEMBL28175915 0.80 TAAR1 (0.42) POLBSIGMAR1TSHR
SCHEMBL351195 0.80 DPP4 (0.46) PIK3CAPIK3CDPIK3CBPIK3CGDPP4
SCHEMBL20963078 0.80 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGDPP4

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
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 US disclosed
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2023-12-14 US disclosed
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2022260441-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2022-12-15 WO disclosed
CN-114380861-A Preparation method of fosinopril sodium intermediate 浙江华海药业股份有限公司 2022-04-22 CN disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 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 (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-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 PIK3CA 2780/4885PIK3CD 3622/4885PIK3CB 3533/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 PIK3CA 2780/4885PIK3CD 3622/4885PIK3CB 3533/4885

“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.