SCHEMBL16797928

SCHEMBL16797928

CN(C)C(=O)c1c[nH]c2ncncc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.45
CYP3A4 P08684 6/20 0.45
ABL1 P00519 2/20 0.45
NTRK1 P04629 2/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CYP2D6 P10635 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
RPS6KA5 O75582 1/20 0.38
AXL P30530 1/20 0.37
JAK3 P52333 2/20 0.37
MAP2K1 Q02750 1/20 0.37

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
SCHEMBL13627414 0.82 HASPIN (0.46) ABL1NTRK1CLK4RPS6KA5AXL
SCHEMBL14406911 0.82 NTRK1 (0.44) NTRK1KDM4ERPS6KA5AXLMAP2K1
SCHEMBL27934700 0.82 NTRK1 (0.49) CYP3A4NTRK1RPS6KA5AXLMAP2K1
SCHEMBL15173466 0.80 ALDH1A1 (0.43) NTRK1ALDH1A1RPS6KA5AXLMAP2K1
SCHEMBL29589055 0.80 ALDH1A1 (0.43) NTRK1ALDH1A1RPS6KA5AXLMAP2K1
SCHEMBL21713015 0.79 MAP2K1 (0.59) ALDH1A1KDM4EAXLMAP2K1
Hydrochloric Acid SCHEMBL30131065 0.79 NTRK1 (0.42) NTRK1ALDH1A1RPS6KA5AXLMAP2K1
SCHEMBL30996123 0.78 NTRK1 (0.40) NTRK1ALDH1A1RPS6KA5AXLJAK3
SCHEMBL28202369 0.78 NTRK1 (0.44) CYP3A4NTRK1CYP1A2CYP2C19KDM4E
SCHEMBL16472206 0.75 MAP2K1 (0.66) MAP4K1CYP3A4CYP2C19CYP2D6CLK4

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-3077395-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES Pfizer Inc. (US) 2016-10-12 EP disclosed
US-20150252047-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-10 US disclosed
WO-2015083028-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. (US) 2015-06-11 WO 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-20150252047-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES CCND2, CCND1, CCNA1 MAP4K1 2131/4885CYP3A4 2718/4885ABL1 240/4885

“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.