SCHEMBL2492453

SCHEMBL2492453

O=C(O)c1cc(Nc2ccc3ccccc3n2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 8/20 0.54
RHOA P61586 1/20 0.53
POLB P06746 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GSK3B P49841 2/20 0.48
SORT1 Q99523 1/20 0.48
KMT2A Q03164 7/20 0.48
GSK3A P49840 1/20 0.46
MEN1 O00255 6/20 0.46
GAA P10253 4/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ACLY P53396 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL14286493 0.80 RAB9A (0.51) NPC1RAB9ARHOAKMT2AMEN1
SCHEMBL27960243 0.78 RHOA (0.55) NPC1RAB9ARHOAKMT2A
SCHEMBL12482812 0.77 POLB (0.64) NPC1RAB9APOLBKDM4EMAPT
SCHEMBL7032217 0.76 MAPK14 (0.65) NPC1RAB9ARHOA
Hydrochloric Acid SCHEMBL12483461 0.76 GAA (0.56) NPC1RAB9APOLBKDM4EMAPT
SCHEMBL12483653 0.76 NPC1 (0.51) NPC1RAB9APOLBKDM4EMAPT
SCHEMBL2495486 0.75 CSF1R (0.51) NPC1RAB9A
SCHEMBL12483940 0.75 AURKA (0.51) NPC1RAB9APOLBKDM4EMAPT
SCHEMBL578445 0.75 NPC1 (0.61) NPC1RAB9APOLBKDM4EMAPT
SCHEMBL29110577 0.74 NPC1 (0.58) NPC1RAB9ARHOAKDM4EMAPT

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
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 NPC1 4681/4885RAB9A 3189/4885RHOA 3117/4885

“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.