SCHEMBL2997864

SCHEMBL2997864

O=C(O)c1cn(CC2CCNC2)c2ccc(I)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 1/20 0.42
PTPN1 P18031 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.39
BRD4 O60885 1/20 0.39
CYP2J2 P51589 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IL1B P01584 2/20 0.39

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
Hydrochloric Acid SCHEMBL1430267 0.99 TOP1 (0.43) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3004410 0.94 FEN1 (0.41) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28787968 0.94 FEN1 (0.41) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4142276 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL13080495 0.86 LMNA (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL13008052 0.86 LMNA (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
Hydrochloric Acid SCHEMBL2996743 0.85 LMNA (0.49) KDM4EALDH1A1HPGDHSD17B10TSHR
Hydrochloric Acid SCHEMBL3003544 0.85 LMNA (0.49) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL7127093 0.85 KDM4E (0.42) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13080494 0.81 LMNA (0.48) KDM4EALDH1A1HPGDHSD17B10PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 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-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 TOP1 1927/4885KDM4E 2874/4885ALDH1A1 1122/4885

“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.