SCHEMBL22189145

SCHEMBL22189145

N#Cc1cccc(C(O)c2ccccc2-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.35
ENPP2 Q13822 1/20 0.34
GRM5 P41594 3/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
VNN1 O95497 1/20 0.31
MAOB P27338 1/20 0.31
OPRM1 P35372 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
SCHEMBL7666687 0.84 GRM5 (0.34) TNFENPP2GRM5ALDH1A1LMNA
SCHEMBL22200867 0.81 CSF1R (0.39) TNFGRM5TOP2ATOP2BMAOB
SCHEMBL20602833 0.77 SIRT2 (0.34) ENPP2FLT3TYRO3MERTKGAS6
SCHEMBL22189143 0.77 FLT3 (0.33) ENPP2FLT3TYRO3MERTKGAS6
SCHEMBL4612796 0.76 ENPP2 (0.46) ENPP2GRM5ALDH1A1MAOBALDH1A3
SCHEMBL2744999 0.74 SLC22A12 (0.34) ENPP2TOP2ATOP2BMAOBALDH1A3
SCHEMBL5857986 0.73 ENPP2 (0.42) ENPP2FLT3TYRO3MERTKGAS6
SCHEMBL16034241 0.71 GRM5 (0.43) ENPP2GRM5ALDH1A1TSHRHTT
SCHEMBL2787655 0.71 CYP19A1 (0.36) TOP2ATOP2BTSHR
SCHEMBL2787652 0.71 CYP19A1 (0.36) TOP2ATOP2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132507-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2024-04-25 US disclosed
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-20200216456-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2020-07-09 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 (3 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-20240132507-A1 TDO2 and IDO1 Inhibitors IDO1, TDO2, IDO2 TNF 2107/4885ENPP2 283/4885GRM5 2366/4885
US-20200216456-A1 TDO2 and IDO1 Inhibitors IDO1, IDO2, TDO2 TNF 2271/4885ENPP2 358/4885GRM5 2375/4885
US-11827639-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 TNF 2107/4885ENPP2 283/4885GRM5 2366/4885

“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.