SCHEMBL3924776

SCHEMBL3924776

CNc1cc(-c2ccccc2)c2ncn(C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.48
▸ IKBKB O14920 8/20 0.42
▸ CHUK O15111 8/20 0.42
▸ CDK2 P24941 2/20 0.40
▸ BTK Q06187 2/20 0.40
▸ ITK Q08881 2/20 0.40
▸ IKBKE Q14164 2/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NSD3 Q9BZ95 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.33

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
SCHEMBL3922575 0.80 LMNA (0.50) BRD4KMT2AMEN1YTHDC1
SCHEMBL23579933 0.79 DPP4 (0.54) DPP4IKBKBCHUKAKT1GRM5
SCHEMBL9722543 0.74 DPP4 (0.59) DPP4AKT1GRM5DPP8NSD3
SCHEMBL23579863 0.73 DPP4 (0.45) DPP4KMT2AMEN1
SCHEMBL3926351 0.71 DPP4 (0.43) DPP4IKBKBCHUKCDK2BTK
SCHEMBL12362542 0.69 DPP4 (0.46) DPP4IKBKBCHUKCDK2BTK
SCHEMBL23579646 0.69 DPP4 (0.44) DPP4BRD4KMT2AMEN1TSHR
SCHEMBL25284484 0.68 TEAD1 (0.47) KMT2AMEN1
SCHEMBL14036884 0.68 TSHR (0.48) AKT1BRD4TSHR
SCHEMBL20233316 0.68 DPP4 (0.45) DPP4IKBKBCHUKCDK2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 — — 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-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 DPP4 1381/4885IKBKB 958/4885CHUK 768/4885

“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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