SCHEMBL10322994

SCHEMBL10322994

Clc1ncc2c(-c3cccc(Br)n3)n[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 2/20 0.35
TGFBR1 P36897 2/20 0.34
MAPK14 Q16539 2/20 0.34
PIM1 P11309 7/20 0.33
BTK Q06187 2/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
LRRK2 Q5S007 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PIM3 Q86V86 2/20 0.31
PIM2 Q9P1W9 2/20 0.31

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
SCHEMBL10322446 0.79 ALDH1A1 (0.43) BTKMAPK9IRAK4
SCHEMBL4998135 0.77 ALDH1A1 (0.46) MAPK14PIM1BTKMAPK8PIM3
SCHEMBL4998305 0.75 RPS6KA5 (0.35) RPS6KA5PIM1BTKTYRO3DYRK1B
SCHEMBL1833053 0.75 LRRK2 (0.44) TGFBR1MAPK14PIM1LRRK2MAPK8
SCHEMBL4997884 0.73 BTK (0.43) TGFBR1PIM1BTKIRAK4
SCHEMBL10323741 0.73 LMNA (0.41) RPS6KA5TGFBR1MAPK14DYRK1BGABRA1
SCHEMBL23199623 0.73 TYRO3 (0.42) RPS6KA5TYRO3DYRK1B
SCHEMBL30881437 0.72 MAPK1 (0.44) MAPK14
SCHEMBL25174047 0.69 TYRO3 (0.44) RPS6KA5TYRO3DYRK1B
SCHEMBL4997926 0.69 ALDH1A1 (0.44) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 US disclosed
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 US disclosed
WO-2012098068-A1 PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098068-A1 PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 US disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 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-20120184508-A1 PYRAZOLO PYRIMIDINES TYMS, TYMP, TP53 RPS6KA5 874/4885TGFBR1 4230/4885MAPK14 1073/4885

“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.