SCHEMBL7944240

SCHEMBL7944240

COc1ccc(NC2CC2)nc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.43
PDGFRA P16234 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
PDE10A Q9Y233 3/20 0.40
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PIM1 P11309 1/20 0.37

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
SCHEMBL7916840 0.77 ALDH1A1 (0.42) RAB9ANPC1CYP1A2USP2CYP3A4
SCHEMBL10201104 0.76 PDE10A (0.43) HPGDPDE10AFYN
SCHEMBL10263321 0.75 IDO1 (0.43) KDM4EPOLBMAPK1
SCHEMBL7947652 0.74 HCAR3 (0.41) TP53CYP1A2CYP2C19HSD17B10USP2
SCHEMBL10201098 0.72 PGK1 (0.49) SMN1; SMN2HPGDRAB9ANPC1HSD17B10
SCHEMBL21411467 0.72 MALT1 (0.39) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL30610202 0.72 MALT1 (0.39) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL27880025 0.70 ALDH1A1 (0.38) SMN1; SMN2HPGDRAB9ATSHRNPC1
SCHEMBL10264228 0.70 KMT2A (0.42) SMN1; SMN2HPGDRAB9ATSHRNPC1
SCHEMBL15739724 0.70 KDM4E (0.46) PIM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 PDGFRB 1428/4885PDGFRA 1747/4885SMN1; SMN2 2209/4885

“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.