SCHEMBL12401437

SCHEMBL12401437

c1cc(-c2cnc3[nH]ccc3n2)cc(N2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.59
RIPK1 Q13546 1/20 0.50
ALOX5AP P20292 4/20 0.48
FEN1 P39748 4/20 0.48
ABL1 P00519 3/20 0.45
YES1 P07947 3/20 0.45
NTRK1 P04629 2/20 0.45
PIM1 P11309 2/20 0.45
KDR P35968 2/20 0.45
HIPK1 Q86Z02 2/20 0.45
CAMK2D Q13557 1/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL12372627 0.83 MAPK1 (0.51) MAPK1RIPK1ALOX5APFEN1
SCHEMBL12401172 0.82 KIT (0.48) MAPK1ABL1YES1NTRK1PIM1
SCHEMBL12400116 0.81 ABL1 (0.43) MAPK1ABL1YES1NTRK1PIM1
SCHEMBL12400226 0.81 CAMK2D (0.47) MAPK1ABL1YES1NTRK1PIM1
SCHEMBL12372228 0.80 MAPK1 (0.48) MAPK1RIPK1ALOX5APFEN1
SCHEMBL12401317 0.78 MAPK1 (0.48) MAPK1RIPK1ALOX5APFEN1
SCHEMBL12605504 0.76 MAPK1 (1.00) MAPK1RIPK1KDR
SCHEMBL28508679 0.74 MAPK1 (0.59) MAPK1RIPK1
SCHEMBL14655483 0.73 ATR (0.44) MAPK1ABL1YES1NTRK1PIM1
SCHEMBL30208787 0.73 JAK3 (0.63) MAPK1RIPK1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 MAPK1 386/4885RIPK1 252/4885ALOX5AP 1321/4885

“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.