SCHEMBL2544640

SCHEMBL2544640

O=C(O)c1cncn2cc(C(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TGFBR1 P36897 1/20 0.36
TAS2R14 Q9NYV8 3/20 0.36
KDM4E B2RXH2 4/20 0.34
ASPH Q12797 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.33
DHODH Q02127 1/20 0.32
HDAC4 P56524 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 2/20 0.32
TDO2 P48775 1/20 0.31

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
SCHEMBL3265976 0.76 DHODH (0.57) MAPTPOLBSMN1; SMN2TGFBR1TAS2R14
SCHEMBL14322617 0.74 NPC1 (0.33) MAPTSMN1; SMN2KDM4ETDP1LMNA
SCHEMBL10697169 0.68 TGFBR1 (0.58) MAPTPOLBSMN1; SMN2TGFBR1TAS2R14
SCHEMBL2550512 0.66 KDM4E (0.37) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL10407098 0.66 LMNA (0.47) MAPTPOLBSMN1; SMN2KDM4ETDP1
SCHEMBL19436706 0.66 KDM4E (0.66) MAPTPOLBSMN1; SMN2KDM4ETDP1
SCHEMBL10407097 0.66 LMNA (0.47) MAPTPOLBSMN1; SMN2KDM4ETDP1
SCHEMBL2731383 0.65 PTGS1 (0.44) TGFBR1KDM4EASPHTDP1HDAC4
SCHEMBL23534429 0.64 RXFP1 (0.49) MAPTSMN1; SMN2KDM4ELMNAHDAC4
SCHEMBL23883092 0.63 CA12 (0.41) MAPTKDM4ELMNAMEN1KMT2A

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-20110263592-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-27 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-20110263592-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR1A, HTR2A, HTR2B MAPT 1462/4885POLB 4186/4885SMN1; SMN2 753/4885

“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.