SCHEMBL4089082

SCHEMBL4089082

CC(C)NC(=O)N1CC2C(N)C2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.46
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM5A P29375 1/20 0.36
DPP4 P27487 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 3/20 0.34
PDE4B Q07343 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TACR1 P25103 1/20 0.32

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
SCHEMBL22917045 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL15298999 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL12448072 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL24568203 0.77 SMN1; SMN2 (0.46) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL20053259 0.76 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL24567517 0.76 DPP4 (0.49) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL14355655 0.74 SMN1; SMN2 (0.47) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL25463792 0.74 PKM (0.47) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL15943589 0.74 SMN1; SMN2 (0.47) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL20343634 0.74 SMN1; SMN2 (0.47) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
EP-1831215-A1 PYRIDO[2,3-D]PYRIMIDINES AS ANTI-INFLAMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-09-12 EP disclosed
WO-2006056863-A1 PYRIDO’2, 3-D!PYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-06-01 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-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS TLR1, TPMT, NOD1 SMN1; SMN2 3623/4885PKM 2580/4885CYP1A2 480/4885

“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.