SCHEMBL3762758

SCHEMBL3762758

N=C(N)Nc1cccc(N2CCCC2=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.70
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 3/20 0.58
TSHR P16473 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL14100187 0.81 GAA (0.49) GAARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22797021 0.79 GAA (0.70) GAARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30281308 0.76 ALDH1A1 (0.80) GAARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4723602 0.76 ALDH1A1 (0.80) GAARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL519856 0.75 ALDH1A1 (0.64) GAARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3765272 0.74 GAA (0.60) GAARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3765274 0.74 GAA (0.60) GAARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL25737091 0.74 GAA (0.64) GAARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3998620 0.74 GAA (0.63) GAARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4397188 0.74 ALDH1A1 (0.68) GAARAB9ASMN1; SMN2MEN1KMT2A

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
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
CN-102459265-A Pyrimidine inhibitors of kinase activity ABBOTT LAB 2012-05-16 CN 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 (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-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 GAA 2232/4885RAB9A 3286/4885SMN1; SMN2 1475/4885

“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.