SCHEMBL2845491

SCHEMBL2845491

O=C(Nc1ccccc1)c1c(Cl)cccc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.63
TYK2 P29597 4/20 0.57
JAK2 O60674 3/20 0.57
JAK1 P23458 3/20 0.57
CYP3A4 P08684 1/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.54
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
ITGB1 P05556 1/20 0.52
ITGA4 P13612 1/20 0.52
PTGS2 P35354 1/20 0.51
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL4154853 0.88 TYK2 (0.71) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3514983 0.86 TYK2 (0.79) F2RTYK2JAK2JAK1CYP3A4
SCHEMBL3791414 0.81 SMO (0.61) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL2168022 0.81 TYK2 (0.58) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL9884060 0.80 TYK2 (0.75) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL14991989 0.80 JAK1 (0.75) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL30230787 0.80 TYK2 (0.75) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL28468149 0.80 TYK2 (0.53) F2RTYK2JAK2JAK1CYP3A4
SCHEMBL28448935 0.79 TYK2 (0.55) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL882802 0.78 F2R (1.00) F2RKMT2AMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375683-A Diazole derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-04 CN disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO 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 (2 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 F2R 33/4885TYK2 4830/4885JAK2 3506/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP F2R 160/4885TYK2 4873/4885JAK2 4381/4885

“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.