SCHEMBL1852173

SCHEMBL1852173

Nc1ccc(-n2cncn2)cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2A6 P11509 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FBP1 P09467 1/20 0.38
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRNA7 P36544 1/20 0.36
DPP4 P27487 2/20 0.34
BRD4 O60885 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL6592711 0.84 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2
SCHEMBL6225101 0.79 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2
SCHEMBL356291 0.79 ALDH1A1 (0.46) SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2
SCHEMBL1824296 0.79 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2
SCHEMBL3313764 0.76 KDM4E (0.50) SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2
SCHEMBL3315742 0.76 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2
SCHEMBL12312203 0.76 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2
SCHEMBL7423501 0.76 KDM4E (0.42) SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2
SCHEMBL27905069 0.74 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2
SCHEMBL8296815 0.74 IP6K1 (0.51) SMN1; SMN2KDM4EALDH1A1CYP2A6FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
US-8168634-B2 Thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-05-01 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
EP-2084155-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-08-05 EP disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008047109-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-24 WO disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 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 (2 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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA SMN1; SMN2 1521/4885KDM4E 2802/4885ALDH1A1 2279/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA SMN1; SMN2 1445/4885KDM4E 2709/4885ALDH1A1 3055/4885

“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.