SCHEMBL3755229

SCHEMBL3755229

CC(=O)c1c(Cl)nc2ccccn12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 4/20 0.60
GAA P10253 2/20 0.60
MAPK1 P28482 3/20 0.56
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 1/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
MET P08581 1/20 0.50
PDGFRA P16234 1/20 0.50
PRKACA P17612 1/20 0.50
LTK P29376 1/20 0.50
GRK5 P34947 1/20 0.50

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
SCHEMBL9981033 0.85 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2RAB9AGAAMAPK1
SCHEMBL196599 0.81 KMT2A (1.00) KMT2ASMN1; SMN2RAB9AGAAMAPK1
SCHEMBL8315301 0.81 KMT2A (1.00) KMT2ASMN1; SMN2RAB9AGAAMAPK1
SCHEMBL24178874 0.80 DAPK3 (0.70) KMT2ASMN1; SMN2RAB9AGAAMAPK1
SCHEMBL7976886 0.80 KMT2A (0.63) KMT2ASMN1; SMN2RAB9AGAAMAPK1
SCHEMBL570612 0.79 MAPK1 (0.75) KMT2ASMN1; SMN2RAB9AGAAMAPK1
SCHEMBL13312213 0.78 CYP1A2 (0.67) KMT2ASMN1; SMN2RAB9AMAPK1KDM4E
SCHEMBL3755232 0.77 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2RAB9AGAAMAPK1
SCHEMBL3755236 0.77 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2RAB9AGAAMAPK1
SCHEMBL15445014 0.75 RAB9A (0.46) KMT2ASMN1; SMN2RAB9AGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 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 (2 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 KMT2A 2161/4885SMN1; SMN2 2310/4885RAB9A 3211/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 KMT2A 2972/4885SMN1; SMN2 1475/4885RAB9A 3286/4885

“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.