SCHEMBL12196977

SCHEMBL12196977

C[C@H](N)c1nc2cccnn2c1-c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.36
▸ MAPK13 O15264 2/20 0.35
▸ MAPK12 P53778 2/20 0.35
▸ MAPK11 Q15759 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ PIK3CA P42336 3/20 0.34
▸ MTOR P42345 2/20 0.34
▸ PIK3CD O00329 3/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CCR1 P32246 2/20 0.34
▸ CCR5 P51681 2/20 0.34
▸ CCR8 P51685 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ METAP1 P53582 1/20 0.34

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
SCHEMBL2508774 1.00 DYRK1A (0.36) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL12264328 0.77 PIK3CD (0.53) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL12265590 0.75 PDE4A (0.39) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL2505337 0.74 PIK3CD (0.68) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL2508585 0.74 PIK3CD (0.68) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL12196947 0.74 PIK3CD (0.37) HTTPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2505110 0.74 PIK3CD (0.37) HTTPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2552579 0.73 HRH1 (0.38) MAPK13MAPK12MAPK11MAPK14HTT
SCHEMBL12196882 0.71 KDM4E (0.39) HTTPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL890580 0.68 PIK3CD (0.59) HTTPIK3CDTDP1TP53SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 — — US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 — — US disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 DYRK1A 2146/4885MAPK13 853/4885MAPK12 816/4885

“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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