SCHEMBL2830607

SCHEMBL2830607

CCOC(=O)c1c(C=Cc2cccc(OC(F)F)c2OCC(C)(C)C)nc2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIM1 P11309 7/20 0.40
PIM2 Q9P1W9 7/20 0.40
ALDH1A1 P00352 6/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 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
SCHEMBL2830605 1.00 MAPK1 (0.46) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2827667 0.90 MAPK1 (0.48) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2827670 0.90 MAPK1 (0.48) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2823725 0.90 PIM1 (0.40) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2823729 0.90 PIM1 (0.40) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL13935129 0.88 MAPK1 (0.45) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL13935128 0.88 MAPK1 (0.45) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2827313 0.86 MAPK1 (0.43) MAPK1SMN1; SMN2PIM1PIM2ALDH1A1
SCHEMBL2827316 0.86 MAPK1 (0.43) MAPK1SMN1; SMN2PIM1PIM2ALDH1A1
SCHEMBL2823667 0.86 MAPK1 (0.51) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 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-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 MAPK1 2141/4885SMN1; SMN2 3907/4885CYP1A2 1594/4885

“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.