SCHEMBL16884493

SCHEMBL16884493

CC(C)Nc1ccncc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC1 P19801 4/20 0.56
▸ AOC3 Q16853 4/20 0.56
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ LATS1 O95835 1/20 0.37
▸ LATS2 Q9NRM7 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ HDAC3 O15379 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
SCHEMBL29376653 1.00 AOC1 (0.56) AOC1AOC3GAAKDM4EALDH1A1
SCHEMBL16002688 0.80 AOC1 (0.38) AOC1AOC3GAAKDM4EALDH1A1
SCHEMBL18272194 0.79 AOC1 (0.44) AOC1AOC3GAAKDM4EALDH1A1
SCHEMBL15786799 0.79 AOC1 (0.44) AOC1AOC3GAAKDM4EALDH1A1
SCHEMBL21540857 0.78 AOC1 (0.53) AOC1AOC3KDM4ELATS1LATS2
SCHEMBL2046959 0.77 — —
SCHEMBL30074192 0.77 — —
SCHEMBL5768195 0.76 AOC1 (0.51) AOC1AOC3GAAKDM4ELATS1
SCHEMBL29277495 0.76 AOC1 (0.51) AOC1AOC3KDM4ELATS1LATS2
SCHEMBL26240072 0.76 AOC1 (0.51) AOC1AOC3LATS1LATS2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3418281-B1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES VERTEX PHARMA (US) 2020-09-30 — — EP disclosed
CN-104955824-B It is used as the aminopyrimidine compounds of the inhibitor of the EGFR mutant containing T790M 豪夫迈·罗氏有限公司 2017-09-22 — — CN disclosed
US-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF BISCAYNE NEUROTHERAPEUTICS, INC. 2015-07-09 — — 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-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF HTT, HNMT, GAP43 AOC1 198/4885AOC3 540/4885GAA 75/4885

“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.

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