SCHEMBL14918993

SCHEMBL14918993

COC(=O)c1ccc(OC)c(C)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL7225742 0.83 KDM4E (1.00) KDM4EL3MBTL1MAPK1ALDH1A1TSHR
SCHEMBL16173477 0.83 KDM4E (0.73) KDM4EL3MBTL1MAPK1ALDH1A1TSHR
SCHEMBL11894231 0.83 KDM4E (0.50) KDM4EL3MBTL1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL6509581 0.83 KDM4E (0.50) KDM4EL3MBTL1MAPK1ALDH1A1TSHR
SCHEMBL7226331 0.81 KDM4E (0.47) KDM4EL3MBTL1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL1161278 0.81 MAPT (0.48) KDM4EL3MBTL1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL7226541 0.80 KDM4E (0.64) KDM4EL3MBTL1MAPK1ALDH1A1TP53
SCHEMBL7107317 0.80 CTSA (0.47) KDM4EL3MBTL1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL7236303 0.80 CTSA (0.48) KDM4EL3MBTL1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL187887 0.80 KDM4E (0.46) KDM4EL3MBTL1MAPK1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-20 US disclosed
EP-4097102-A1 1H-PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS Bristol-Myers Squibb Company (US) 2022-12-07 EP disclosed
CN-115210236-A 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2022-10-18 CN disclosed
WO-2021154661-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO 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-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 KDM4E 2165/4885L3MBTL1 2808/4885MAPK1 308/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 KDM4E 1795/4885L3MBTL1 4347/4885MAPK1 3704/4885

“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.