SCHEMBL3755525

SCHEMBL3755525

CN(C)C=CC(=O)c1c(Cl)nc2sccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 3/20 0.46
DYRK1A Q13627 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3755520 1.00 MAPT (0.53) MAPTTDP1ALDH1A1TSHRHPGD
SCHEMBL3762990 0.76 ALDH1A1 (0.56) MAPTTDP1ALDH1A1TSHRHPGD
SCHEMBL3755232 0.75 SMN1; SMN2 (0.51) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL3755236 0.75 SMN1; SMN2 (0.51) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL1339567 0.75 DYRK1A (0.56) MAPTALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL2746115 0.72 KMT2A (0.46) MAPTTDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL2746114 0.72 KMT2A (0.46) MAPTTDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3814905 0.71 MAPT (0.41) MAPTTDP1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3814902 0.71 MAPT (0.41) MAPTTDP1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3819019 0.71 PTGS2 (0.43) MAPTTDP1KMT2AKDM4ELMNA

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-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

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 MAPT 3012/4885TDP1 309/4885ALDH1A1 1481/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 MAPT 2822/4885TDP1 345/4885ALDH1A1 982/4885

“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.