SCHEMBL21776261

SCHEMBL21776261

CCCCCCCC(C)c1cccnc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.34
FAAH O00519 1/20 0.34
PPARG P37231 1/20 0.33
IDO1 P14902 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
TLR8 Q9NR97 1/20 0.32
MLYCD O95822 1/20 0.32
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL19831936 1.00 LMNA (0.36) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL22792310 0.88 PDE1A (0.33) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL19405304 0.84 NR1I2 (0.39) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL25163404 0.82 TSHR (0.43) HTTKDM4ESMN1; SMN2TSHRNPC1
SCHEMBL22792041 0.81 LMNA (0.36) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL23082844 0.79 FAAH (0.36) LMNAHTTKDM4ESMN1; SMN2FAAH
SCHEMBL24261276 0.79 FAAH (0.36) LMNAHTTKDM4ESMN1; SMN2FAAH
SCHEMBL19997560 0.78 LMNA (0.35) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL21755112 0.78 ADA (0.42) KDM4ESMN1; SMN2TSHRFAAHTLR8
SCHEMBL22333699 0.77 KCNK3 (0.33) LMNAMAPT

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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2020-02-27 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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC LMNA 4793/4885HTT 722/4885KDM4E 876/4885

“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.