SCHEMBL13907367

SCHEMBL13907367

Cc1ccc(F)cc1CNC1=NCCN1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
NISCH Q9Y2I1 1/20 0.50
GAA P10253 1/20 0.49
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
WDR5 P61964 13/20 0.48
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44

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
SCHEMBL12139511 0.86 WDR5 (0.47) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL13648676 0.83 PTGIR (0.53) WDR5ADRA2AADRA2BADRA2CADRA1D
SCHEMBL32665951 0.83 LMNA (0.55) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL29315350 0.83 LMNA (0.55) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL560664 0.80 LMNA (0.56) LMNANISCHGAAAPOBEC3ACTDSP1
SCHEMBL17186490 0.76 PTGIR (0.61) LMNAGAAAPOBEC3ACTDSP1APOBEC3G
SCHEMBL956651 0.75 HTR1D (0.57) LMNANISCHADRA2AADRA2BADRA2C
Flutonidine SCHEMBL352837 0.75 ADRA2A (0.63) NISCHADRA2AADRA2BADRA2CADRA1D
Flutonidine SCHEMBL29367926 0.75 ADRA2A (0.63) NISCHADRA2AADRA2BADRA2CADRA1D
SCHEMBL10022889 0.75 LMNA (0.62) LMNAGAAAPOBEC3ACTDSP1APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075981-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 US disclosed
US-20090075981-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 US disclosed
US-7423049-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-09 US disclosed
US-7423049-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-09 US disclosed
US-7205305-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-17 US disclosed
US-7205305-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-17 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-20090075981-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 LMNA 2007/4885NISCH 4840/4885GAA 2236/4885

“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.