SCHEMBL3188154

SCHEMBL3188154

CCC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCN(C(=O)C6CCNCC6)CC5)c4)nc23)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KHK P50053 1/20 0.38
PRKCI P41743 1/20 0.37
AKT1 P31749 1/20 0.37
JAK3 P52333 7/20 0.36
POLB P06746 1/20 0.35
SYK P43405 2/20 0.35
KMT2A Q03164 2/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL2282029 0.90 MAPT (0.39) TP53MAPTALDH1A1LMNATSHR
SCHEMBL2361899 0.88 JAK3 (0.39) MAPK1PRKCIJAK3SYK
SCHEMBL2277399 0.83 MAPT (0.39) TP53MAPTALDH1A1LMNATSHR
SCHEMBL2354831 0.82 JAK3 (0.38) MAPK1JAK3SYKJAK2JAK1
SCHEMBL2277366 0.80 PRKCI (0.46) PRKCIJAK3SYKJAK2
SCHEMBL2277317 0.80 MAPT (0.40) TP53MAPTALDH1A1LMNATSHR
SCHEMBL2274883 0.79 FLT3 (0.43) ALDH1A1TSHRMAPK1HSD17B10PRKCI
SCHEMBL2350248 0.78 MAPT (0.37) TP53MAPTALDH1A1LMNATSHR
SCHEMBL2275354 0.78 JAK3 (0.40) MAPK1PRKCIJAK3SYKJAK2
SCHEMBL2354465 0.78 JAK3 (0.40) MAPK1JAK3SYKJAK2JAK1

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-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 TP53 1962/4885MAPT 3747/4885ALDH1A1 4082/4885

“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.