SCHEMBL13990809

SCHEMBL13990809

CCc1c(C(F)(F)F)ccc(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
IDO1 P14902 2/20 0.35
KLKB1 P03952 1/20 0.35
PYCR1 P32322 1/20 0.33
PDE2A O00408 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
KDR P35968 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PTGS1 P23219 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
SCHEMBL18086469 0.82 P2RX7 (0.36) LMNAIDO1PYCR1MEN1ALDH1A1
SCHEMBL21446974 0.81 IDO1 (0.39) IDO1KLKB1HTR3EHTR3BHTR3A
SCHEMBL2922519 0.81 IDO1 (0.35) IDO1KLKB1HTR3EHTR3BHTR3A
SCHEMBL21139129 0.80 PDE2A (0.33) LMNAIDO1KLKB1PYCR1PDE2A
SCHEMBL16941876 0.79 TAAR1 (0.34) MEN1ALDH1A1KMT2APTGS1PTGS2
SCHEMBL21733550 0.78 FFAR4 (0.36) IDO1PDE2A
SCHEMBL16942323 0.78 P2RX7 (0.37) LMNAIDO1PYCR1MEN1ALDH1A1
SCHEMBL10290476 0.75 MPO (0.40) MEN1ALDH1A1KMT2A
SCHEMBL16939396 0.74 P2RX7 (0.41) PYCR1S1PR1PTGS2CTSSCTSK
SCHEMBL23879465 0.74 GPR17 (0.51) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 US disclosed
US-10336754-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-10287288-B2 Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties BRISTOL-MYERS SQUIBB (US) 2019-05-14 US disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 US disclosed
US-20180162821-A1 FACTOR XIA MACROCYCLES WITH NOVEL P1 GROUPS BRISTOL-MYERS SQUIBB COMPANY 2018-06-14 US disclosed
WO-2013056060-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 WO disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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 (7 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 LMNA 3446/4885IDO1 107/4885KLKB1 4701/4885
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 LMNA 1886/4885IDO1 835/4885KLKB1 7/4885
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 LMNA 2103/4885IDO1 573/4885KLKB1 1422/4885
US-20180162821-A1 FACTOR XIA MACROCYCLES WITH NOVEL P1 GROUPS F11, F12, TFPI LMNA 450/4885IDO1 3133/4885KLKB1 17/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 LMNA 4686/4885IDO1 62/4885KLKB1 2154/4885
US-10287288-B2 Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties TFPI, TFPI2, F11 LMNA 1801/4885IDO1 2581/4885KLKB1 14/4885
US-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 LMNA 1886/4885IDO1 835/4885KLKB1 7/4885

“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.