SCHEMBL6454592

SCHEMBL6454592

O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(NC(=O)n2ccc3c(Nc4ccc(C(F)(F)F)cc4)ncnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
STAT3 P40763 1/20 0.52
BTK Q06187 3/20 0.51
LMNA P02545 3/20 0.50
KDR P35968 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HIF1A Q16665 2/20 0.47
EPAS1 Q99814 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL6450306 0.93 BTK (0.54) MAPTSMN1; SMN2STAT3BTKLMNA
SCHEMBL6454154 0.88 BRAF (0.52) BTKLMNA
SCHEMBL6450183 0.83 ABL1 (0.52) BTK
SCHEMBL5031557 0.83 MAPT (0.56) MAPTSMN1; SMN2LMNAHDAC8HDAC6
SCHEMBL6461342 0.80 EGFR (0.51) MAPTSMN1; SMN2RAB9AMAPK1
SCHEMBL6454347 0.75 MAPT (0.49) MAPTSMN1; SMN2HDAC8HDAC6NPC1
SCHEMBL4414025 0.74 FLT3 (0.51) KDR
SCHEMBL14189593 0.73 BRAF (0.51) LMNAKDRHIF1AEPAS1
SCHEMBL8770431 0.72 HDAC8 (0.81) MAPTSMN1; SMN2LMNAHDAC8HDAC6
SCHEMBL6454440 0.72 CSF1R (0.54) KDR

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-20050159391-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-21 US claimed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US disclosed
US-20050159391-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-21 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 (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-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS LCK, FYN, BMX MAPT 1133/4885SMN1; SMN2 1527/4885STAT3 833/4885
US-20050159391-A1 Compounds and compositions as protein kinase inhibitors LCK, FYN, BMX MAPT 1133/4885SMN1; SMN2 1527/4885STAT3 833/4885

“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.