SCHEMBL10169430

SCHEMBL10169430

Cc1cc(N2CCC(C(N)=O)CC2)nc(C)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
KMT2A Q03164 1/20 0.49
USP2 O75604 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
SORD Q00796 2/20 0.45
LMNA P02545 2/20 0.45
ABL1 P00519 1/20 0.45
IKBKB O14920 1/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.44
TP53 P04637 1/20 0.44
GBA1 P04062 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL793103 0.83 HPGD (0.53) TDP1ALDH1A1KDM4EKMT2AUSP2
SCHEMBL6972943 0.81 ALDH1A1 (0.58) TDP1ALDH1A1KDM4EKMT2AHPGD
SCHEMBL21685947 0.80 TDP1 (1.00) TDP1ALDH1A1KDM4EKMT2AUSP2
SCHEMBL12452908 0.80 HRH3 (0.50) TDP1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16222432 0.78 SMN1; SMN2 (0.60) TDP1ALDH1A1KDM4EKMT2AHPGD
SCHEMBL31381324 0.77 TDP1 (0.60) TDP1ALDH1A1KDM4EKMT2APKM
SCHEMBL19658409 0.76 TAF1 (0.48) TDP1ALDH1A1KDM4EKMT2AUSP2
SCHEMBL3256156 0.75 KDM4E (0.62) TDP1ALDH1A1KDM4EKMT2AUSP2
SCHEMBL15976475 0.74 FPR2 (0.45) TDP1
SCHEMBL6981587 0.74 GPR119 (0.59) ALDH1A1KDM4EKMT2AUSP2HPGD

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-9084828-B2 Oligomer-protein tyrosine kinase inhibitor conjugates NEKTAR THERAPEUTICS (US) 2015-07-21 US disclosed
US-20140329828-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2014-11-06 US disclosed
US-8816077-B2 Oligomer-protein tyrosine kinase inhibitor conjugates NEKTAR THERAPEUTICS (US) 2014-08-26 US disclosed
US-20120071492-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-03-22 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-20140329828-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK TDP1 1697/4885ALDH1A1 4764/4885KDM4E 3895/4885
US-20120071492-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK TDP1 1718/4885ALDH1A1 4767/4885KDM4E 3959/4885

“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.