SCHEMBL3598227

SCHEMBL3598227

CCOC(=O)c1cnn(-c2cc(NCC(=O)OC(C)(C)C)ncn2)c1N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 6/20 0.50
NPC1 O15118 6/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL3580927 0.88 NPC1 (0.44) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL3598225 0.78 MAPT (0.55) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL10524823 0.71 NPC1 (0.72) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL10515355 0.71 RAB9A (0.72) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL19208815 0.70 NPC1 (0.57) MAPTCYP2C19RECQLSMN1; SMN2LMNA
SCHEMBL10555219 0.68 RAB9A (0.72) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL21598743 0.68 MAPT (0.54) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL19876859 0.67 CCNT1 (0.44) MAPTNPC1MEN1KMT2A
SCHEMBL1335629 0.67 NPC1 (1.00) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL31117042 0.67 ALDH1A1 (0.77) MAPTCYP2C19SMN1; SMN2LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK MAPT 1174/4885CYP1A2 4008/4885CYP2C19 4243/4885

“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.