SCHEMBL3342006

SCHEMBL3342006

Cc1[c]cc2nc(C(N)=O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
GRM2 Q14416 11/20 0.38
PIM1 P11309 1/20 0.38
LRRK2 Q5S007 1/20 0.35
TGFBR1 P36897 2/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.34
NNMT P40261 1/20 0.34

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
SCHEMBL3344557 0.87 GRM2 (0.41) PTPN1GRM2PIM1TGFBR1FAAH
SCHEMBL3342031 0.76 TGFBR1 (0.44) GRM2TGFBR1LMNA
SCHEMBL8007815 0.75 NCK1 (0.55) PTPN1GRM2PIM1
SCHEMBL5623414 0.73 GRM2 (0.56) PTPN1GRM2PIM1FAAH
SCHEMBL15516376 0.71 PIM1 (0.41) PTPN1GRM2PIM1FAAHLMNA
SCHEMBL3343307 0.71 PTPN1 (0.38) PTPN1GRM2PIM1FAAHLMNA
SCHEMBL12505386 0.71 NNMT (0.41) PTPN1GRM2PIM1FAAHNNMT
SCHEMBL3343146 0.69 GRM2 (0.41) PTPN1GRM2PIM1TGFBR1NNMT
SCHEMBL18077323 0.69 SCN7A (0.46) PTPN1PIM1LRRK2
SCHEMBL4473874 0.68 PIM1 (0.41) PTPN1GRM2PIM1TGFBR1LMNA

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
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 PTPN1 1428/4885GRM2 496/4885PIM1 3936/4885

“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.