SCHEMBL2899658

SCHEMBL2899658

CCc1nn(CC)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SLC9A1 P19634 1/20 0.43
GLS O94925 1/20 0.42
ADORA2A P29274 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ADORA2B P29275 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
SLC16A3 O15427 1/20 0.40
KHK P50053 1/20 0.40
SLC22A12 Q96S37 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SSTR4 P31391 1/20 0.38

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
Iodide SCHEMBL2822777 0.98 ALOX15 (0.47) ALOX15MAPTALDH1A1MAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL27403116 0.98 ALOX15 (0.47) ALOX15MAPTALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL16043238 0.85 MAPT (0.42) ALOX15MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL8373357 0.82 SLC16A3 (0.58) ALOX15MAPTALDH1A1MAPK1KDM4E
SCHEMBL10533803 0.80 MAPT (0.71) ALOX15MAPTHSD17B10RECQLSLC16A3
SCHEMBL13168765 0.79 ALOX15 (0.41) ALOX15MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL5009531 0.78 L3MBTL1 (0.45) ALOX15ALDH1A1MAPK1L3MBTL1GLS
SCHEMBL6090368 0.78 GLS (0.66) ALOX15MAPTALDH1A1L3MBTL1SLC9A1
SCHEMBL13131353 0.77 REN (0.47) ALOX15ALDH1A1L3MBTL1GLSKDM4E
SCHEMBL25153639 0.77 SLC9A1 (0.43) MAPTALDH1A1L3MBTL1SLC9A1GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 US disclosed
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof INVENTISBIO SHANGHAI LTD. (CN) 2019-01-15 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-20100286406-A1 1,3- DIALKYLBENZIMIDAZOLE HALOGENIDES EXHIBITING REGENERATIVE, ANTI-INFLAMMATORY, AND ANTIMICROBIAL ACTIVITY STRADOMSKIY, BORIS VITALYEVICH (RU) 2010-11-11 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 (4 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-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 ALOX15 1320/4885MAPT 4373/4885ALDH1A1 1050/4885
US-20100286406-A1 1,3- DIALKYLBENZIMIDAZOLE HALOGENIDES EXHIBITING REGENERATIVE, ANTI-INFLAMMATORY, AND ANTIMICROBIAL ACTIVITY ALK, CFTR, FGFR1 ALOX15 1240/4885MAPT 4854/4885ALDH1A1 118/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD ALOX15 1600/4885MAPT 4416/4885ALDH1A1 1411/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD ALOX15 1755/4885MAPT 4337/4885ALDH1A1 1173/4885

“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.