SCHEMBL18505760

SCHEMBL18505760

CCn1c(CN2CCC(C(=O)NC)CC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 15/20 0.59
▸ HDAC1 Q13547 6/20 0.59
▸ PIK3R1 P27986 2/20 0.59
▸ PIK3CD O00329 11/20 0.52
▸ MTOR P42345 1/20 0.52
▸ PIK3CB P42338 9/20 0.51
▸ PIK3CG P48736 9/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49
▸ NCOR2 Q9Y618 1/20 0.49

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
SCHEMBL17087418 0.94 PIK3CA (0.63) PIK3CAHDAC1PIK3R1PIK3CDMTOR
SCHEMBL1114123 0.85 PIK3CA (0.60) PIK3CAHDAC1PIK3R1PIK3CDMTOR
SCHEMBL1114226 0.85 PIK3CA (0.59) PIK3CAHDAC1PIK3R1PIK3CDMTOR
SCHEMBL1114067 0.84 PIK3CA (0.58) PIK3CAHDAC1PIK3R1PIK3CDMTOR
SCHEMBL2100029 0.83 PIK3CA (0.57) PIK3CAHDAC1PIK3R1PIK3CDMTOR
SCHEMBL1114023 0.82 PIK3CA (0.64) PIK3CAHDAC1PIK3R1PIK3CDMTOR
SCHEMBL1181177 0.78 PIK3CD (0.80) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1113549 0.78 PIK3CA (0.57) PIK3CAHDAC1PIK3R1PIK3CDMTOR
SCHEMBL1114258 0.77 PIK3CA (0.56) PIK3CAHDAC1PIK3R1PIK3CDMTOR
SCHEMBL1113474 0.77 PIK3CA (0.57) PIK3CAHDAC1PIK3R1PIK3CDMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957270-B2 Fused pyrimidine-based hydroxamate derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-01 — — US disclosed
US-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-02-16 — — 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-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives HDAC1, HDAC2, HDAC5 PIK3CA 301/4885HDAC1 1/4885PIK3R1 934/4885

“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.

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