SCHEMBL3343192

SCHEMBL3343192

Cc1ccc(-c2ccnn(CCO)c2=O)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.38
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
NTRK1 P04629 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33

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
SCHEMBL6526036 0.85 PDE3B (0.38) P2RX7KDM4EALDH1A1SMN1; SMN2HDAC1
SCHEMBL3343187 0.85 P2RX7 (0.47) P2RX7ALDH1A1HDAC1LMNARAB9A
SCHEMBL1226389 0.81 P2RX7 (0.41) P2RX7KDM4EALDH1A1SMN1; SMN2PDE3B
SCHEMBL3349288 0.78 KDM4E (0.33) P2RX7KDM4EALDH1A1SMN1; SMN2HDAC1
SCHEMBL3343246 0.73 MEN1 (0.48) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL6526034 0.72 RAB9A (0.41) P2RX7ALDH1A1SMN1; SMN2HDAC1LMNA
SCHEMBL2614654 0.70 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2HDAC1TSHR
SCHEMBL3343074 0.70 GAA (0.42) KDM4EALDH1A1SMN1; SMN2HDAC1TSHR
SCHEMBL3342657 0.69 ITGA4 (0.38) P2RX7PDE3BPDE3AAURKATTK
SCHEMBL3341045 0.69 NR3C2 (0.50) KDM4EALDH1A1SMN1; SMN2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 P2RX7 8/4885KDM4E 2591/4885ALDH1A1 1506/4885

“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.