SCHEMBL3755236

SCHEMBL3755236

CN(C)C=CC(=O)c1c(Cl)nc2ccccn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.51
RAB9A P51151 8/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 5/20 0.48
LMNA P02545 4/20 0.48
MAPK1 P28482 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
RECQL P46063 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL3755232 1.00 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AGAANPC1LMNA
SCHEMBL7964747 0.85 LMNA (0.65) SMN1; SMN2RAB9AGAANPC1LMNA
SCHEMBL29544092 0.84 LMNA (0.52) SMN1; SMN2RAB9AGAANPC1LMNA
SCHEMBL14159905 0.82 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1LMNAMAPK1
SCHEMBL7978701 0.81 LMNA (0.46) SMN1; SMN2RAB9AGAANPC1LMNA
SCHEMBL3755229 0.77 KMT2A (0.69) SMN1; SMN2RAB9AGAANPC1LMNA
SCHEMBL9981033 0.75 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AGAANPC1MAPK1
SCHEMBL3755525 0.75 MAPT (0.53) SMN1; SMN2RAB9AGAANPC1LMNA
SCHEMBL3755520 0.75 MAPT (0.53) SMN1; SMN2RAB9AGAANPC1LMNA
SCHEMBL12651564 0.74 TUBB4A (0.46) SMN1; SMN2RAB9ANPC1LMNAMAPK1

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-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
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-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
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO 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 SMN1; SMN2 2310/4885RAB9A 3211/4885GAA 2513/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 SMN1; SMN2 1475/4885RAB9A 3286/4885GAA 2232/4885

“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.