SCHEMBL14924433

SCHEMBL14924433

COc1cc(C(=O)NCCN2CCCC2)ccc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.70
POLB P06746 2/20 0.65
KMT2A Q03164 2/20 0.64
NPSR1 Q6W5P4 1/20 0.62
SLC5A7 Q9GZV3 1/20 0.61
F10 P00742 1/20 0.57
SLC29A1 Q99808 1/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
GLA P06280 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD2 P14416 1/20 0.54
TLR9 Q9NR96 1/20 0.54
TLR8 Q9NR97 1/20 0.54
TLR7 Q9NYK1 1/20 0.54

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
SCHEMBL3542972 0.86 SMN1; SMN2 (0.68) SMN1; SMN2POLBKMT2ANPSR1SLC5A7
SCHEMBL13575582 0.85 SMN1; SMN2 (0.67) SMN1; SMN2POLBKMT2ANPSR1SLC5A7
SCHEMBL14221021 0.85 SMN1; SMN2 (0.67) SMN1; SMN2POLBKMT2ANPSR1SLC5A7
SCHEMBL14924111 0.84 SMN1; SMN2 (0.65) SMN1; SMN2POLBKMT2ANPSR1SLC5A7
SCHEMBL13175532 0.84 SMN1; SMN2 (0.65) SMN1; SMN2POLBKMT2ANPSR1SLC5A7
SCHEMBL30175557 0.83 SMN1; SMN2 (0.63) SMN1; SMN2POLBKMT2ANPSR1SLC5A7
SCHEMBL3549288 0.82 SMN1; SMN2 (0.63) SMN1; SMN2POLBKMT2ANPSR1SLC5A7
SCHEMBL19175628 0.82 NPSR1 (0.65) POLBKMT2ANPSR1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11484451 0.82 SMN1; SMN2 (1.00) SMN1; SMN2POLBKMT2ANPSR1SLC5A7
SCHEMBL27277527 0.81 NPSR1 (0.64) POLBKMT2ANPSR1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 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 (3 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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN SMN1; SMN2 3453/4885POLB 1530/4885KMT2A 1857/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 SMN1; SMN2 3653/4885POLB 1584/4885KMT2A 1823/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 SMN1; SMN2 3653/4885POLB 1584/4885KMT2A 1823/4885

“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.