Sugi Predict

Sugi Predict / Compounds / SCHEMBL13301202

SCHEMBL13301202

SCHEMBL13301202

c1ccc(Nc2nc(NC3CC3)c3nc[nH]c3n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 5/20 0.54
▸ MERTK Q12866 5/20 0.54
▸ FLT3 P36888 4/20 0.54
▸ GAS6 Q14393 4/20 0.54
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ ADORA3 P0DMS8 6/20 0.43
▸ ADORA1 P30542 4/20 0.43
▸ ADORA2A P29274 3/20 0.43
▸ ROCK1 Q13464 1/20 0.40
▸ AXL P30530 2/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ SYK P43405 1/20 0.39

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
SCHEMBL14110209 0.80 PIK3CD (0.46) TYRO3MERTKFLT3GAS6PIK3CD
SCHEMBL14110252 0.80 UTS2R (0.42) TYRO3MERTKFLT3GAS6PIK3CD
SCHEMBL13301199 0.80 IRAK4 (0.51) TYRO3MERTKFLT3GAS6PIK3CD
SCHEMBL13301201 0.80 FLT3 (0.53) TYRO3MERTKFLT3GAS6PIK3CD
SCHEMBL7104515 0.79 ADORA3 (0.64) MERTKADORA3ADORA1ADORA2APAK4
SCHEMBL21601504 0.78 ADORA3 (0.69) TYRO3MERTKADORA3ADORA1ADORA2A
SCHEMBL21601563 0.78 ADORA3 (0.69) TYRO3MERTKADORA3ADORA1ADORA2A
SCHEMBL21601510 0.78 ADORA3 (0.69) TYRO3MERTKADORA3ADORA1ADORA2A
SCHEMBL31061104 0.78 ADORA3 (0.69) TYRO3MERTKADORA3ADORA1ADORA2A
Puquitinib SCHEMBL14110230 0.78 PIK3CD (0.73) TYRO3MERTKFLT3GAS6PIK3CD

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-8580763-B2 2, 6-dinitrogen-containing substituted purine derivatives, the preparation and uses thereof ZHANGGUI WU (CN) 2013-11-12 — — US disclosed
US-8580763-B2 2, 6-dinitrogen-containing substituted purine derivatives, the preparation and uses thereof ZHANGGUI WU (CN) 2013-11-12 — — US disclosed
US-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof ZHE JIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2010-06-10 — — US disclosed
US-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof ZHE JIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2010-06-10 — — US disclosed
EP-2149574-A1 2, 6-DINITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVES, THE PREPARATION AND USES THEREOF ZheJiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2010-02-03 — — 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 (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-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof PNP, NUDT1, DPYD TYRO3 3740/4885MERTK 3430/4885FLT3 978/4885

“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.