SCHEMBL3553622

SCHEMBL3553622

Cc1ccn(-c2ccc(C=C(C#N)c3cc(F)ccc3F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KIF20A O95235 1/20 0.37
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
HTT P42858 1/20 0.34
PPARD Q03181 2/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL3554596 0.85 NPC1 (0.46) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL3554594 0.85 NPC1 (0.46) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL3552968 0.81 ALDH1A1 (0.43) KAT6AMAPTLMNARAB9ANPC1
SCHEMBL3552970 0.81 ALDH1A1 (0.43) KAT6AMAPTLMNARAB9ANPC1
SCHEMBL3562068 0.79 ALDH1A1 (0.37) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL3562070 0.79 ALDH1A1 (0.37) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL3562064 0.76 NPC1 (0.46) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL3562061 0.76 NPC1 (0.46) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL14379044 0.73 ORAI1 (0.42) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL3559709 0.73 ORAI1 (0.42) MAPTLMNARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705029-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-04-27 US disclosed
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-11-22 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-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 KAT6A 1540/4885MAPT 643/4885LMNA 3197/4885

“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.