SCHEMBL29554792

SCHEMBL29554792

CN1CCN(CCOc2ncc3c(OC4CCOCC4)cccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.44
PKMYT1 Q99640 2/20 0.42
MKNK1 Q9BUB5 2/20 0.41
HTR1A P08908 4/20 0.41
HTR1D P28221 4/20 0.41
HTR1B P28222 4/20 0.41
SRC P12931 2/20 0.41
ACVR1 Q04771 2/20 0.40
EGFR P00533 2/20 0.40
BMPR1B O00238 1/20 0.40
GAK O14976 1/20 0.40
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40
STK10 O94804 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
YES1 P07947 1/20 0.40
LYN P07948 1/20 0.40

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
SCHEMBL18128967 0.76 CYP1A2 (0.41) HTR1ASRCFLT3
SCHEMBL27633615 0.73 FLT3 (0.39) HTR1APDGFRBPDGFRAFLT3
SCHEMBL4594558 0.72 SRC (0.55) PKMYT1SRCACVR1EGFRBMPR1B
SCHEMBL28731663 0.72 MEN1 (0.56) MKNK1
SCHEMBL5664245 0.71 EGFR (0.45) SRCEGFRKDRFLT3KCNH2
SCHEMBL31438651 0.69 SRC (0.54) PKMYT1SRCACVR1EGFRBMPR1B
SCHEMBL16742218 0.68 SRC (0.58) PKMYT1SRCACVR1EGFRBMPR1B
SCHEMBL5660339 0.68 SRC (0.43) SRCEGFRKDRFLT3
SCHEMBL30463130 0.67 HRH3 (0.56)
SCHEMBL13634006 0.67 SRC (0.61) PKMYT1SRCACVR1EGFRBMPR1B

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-20240092825-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2024-03-21 US disclosed
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2022-12-13 US disclosed
EP-4079735-A1 COMPOUND FOR INHIBITING AND INDUCING DEGRADATION OF EGFR KINASE Beijing Tide Pharmaceutical Co., Ltd. (CN) 2022-10-26 EP disclosed
EP-3596073-B1 TRICYCLIC COMPOUNDS FOR USE IN TREATMENT OF PROLIFERATIVE DISORDERS. ARGONAUT THERAPEUTICS LTD (GB) 2022-05-11 EP 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-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 PRKDC 161/4885PKMYT1 1535/4885MKNK1 2749/4885
US-20240092825-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, RB1 PRKDC 1164/4885PKMYT1 2803/4885MKNK1 3859/4885

“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.