SCHEMBL9921647

SCHEMBL9921647

Cc1cccc(F)c1CCC#N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ACHE P22303 1/20 0.40
TAAR1 Q96RJ0 1/20 0.35
HTT P42858 2/20 0.35
EGFR P00533 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
EED O75530 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.32
P2RX7 Q99572 1/20 0.32
ATM Q13315 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
SCHEMBL9922003 0.86 KMT2A (0.50) MEN1KMT2AACHETAAR1HTT
SCHEMBL14375354 0.86 MEN1 (0.50) MEN1KMT2ATAAR1EGFRSMN1; SMN2
SCHEMBL20249844 0.81 ACHE (0.43) MEN1KMT2AACHETAAR1SMN1; SMN2
SCHEMBL31459480 0.81 ACHE (0.43) MEN1KMT2AACHETAAR1SMN1; SMN2
SCHEMBL28122164 0.78 MEN1 (0.42) MEN1KMT2ATAAR1HTTEGFR
SCHEMBL12490636 0.78 TSHR (0.50) MEN1KMT2AHTTEGFRSMN1; SMN2
SCHEMBL2032212 0.78 TAAR1 (0.61) MEN1KMT2ATAAR1HTTSMN1; SMN2
SCHEMBL3208304 0.77 KDM1A (0.41) MEN1KMT2ATAAR1SMN1; SMN2ALDH1A1
SCHEMBL9918365 0.77 GABRA1 (0.43) MEN1KMT2ATAAR1EGFRALDH1A1
SCHEMBL24594990 0.76 ALDH1A1 (0.42) MEN1KMT2ATAAR1HTTEGFR

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MEN1 440/4885KMT2A 628/4885ACHE 4814/4885

“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.