SCHEMBL1104787

SCHEMBL1104787

CC1(C)OB(c2n[nH]c3ccccc23)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
GAA P10253 2/20 0.43
PDPK1 O15530 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 2/20 0.41
IDO1 P14902 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALPL P05186 1/20 0.41
HPGD P15428 1/20 0.41
TTK P33981 1/20 0.41
MAPK10 P53779 1/20 0.41
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
YTHDC1 Q96MU7 1/20 0.37
STAT3 P40763 1/20 0.37
HIF1A Q16665 1/20 0.37
LRRK2 Q5S007 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1108740 0.79 KDM4E (0.37) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL4822833 0.73 TRPA1 (0.57) LPLLIPGAURKATRPA1
SCHEMBL15504185 0.70 CYP1A2 (0.46) CYP1A2LPLLIPGPRMT5WDR77
SCHEMBL29414051 0.68 ATM (0.44) KDM4EGAACYP3A4ALDH1A1LPL
SCHEMBL18935357 0.68 GPR3 (0.44) KDM4EGAACYP1A2ALDH1A1HPGD
SCHEMBL2111365 0.68 ATM (0.44) KDM4EGAACYP3A4ALDH1A1LPL
SCHEMBL189955 0.68 IDO1 (0.50) IDO1LPLLIPG
SCHEMBL29376674 0.68 IDO1 (0.50) IDO1LPLLIPG
SCHEMBL2018549 0.68 LPL (0.50) LPLLIPG
SCHEMBL30379604 0.67 PRMT5 (0.42) CYP1A2IDO1LPLLIPGPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483523-B Pyrazolopyrimidine derivative epidermal growth factor inhibitor and preparation method and application thereof 药雅科技(上海)有限公司 2022-11-22 CN disclosed
CN-110452243-B Pyrrolopyrimidine derivative epidermal growth factor inhibitor and preparation method and application thereof 药雅科技(上海)有限公司 2022-11-11 CN disclosed
CN-105461695-B Pyrimidine or pyrrolotriazine derivatives and its production and use 齐鲁制药有限公司 2018-03-27 CN disclosed
CN-103664898-A Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO LTD 2014-03-26 CN disclosed
US-8153639-B2 kinase inhibitor; immunotherapy; viricides; function or behavior associated with PI3 kinase such as cancer, immune, cardiovascular, nervous system, metabolism/endocrine and neurological diseases, viral infection, inflammation; 3-(4-Pyridin-4-yl-thieno[3,2-d]pyrimidin-2-yl)-phenol F. HOFFMAN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-20090209559-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 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-20090209559-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3CD KDM4E 3774/4885GAA 1425/4885PDPK1 14/4885

“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.