SCHEMBL6869144

SCHEMBL6869144

CSc1nc(Cl)c(CBr)c(-c2ccc(F)cc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.39
MAPT P10636 6/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
HSD17B10 Q99714 1/20 0.32
RECQL P46063 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL6643864 0.81 HSP90AB1 (0.44) HSP90AB1MAPTALDH1A1LMNAKMT2A
SCHEMBL6674110 0.81 AKR1C3 (0.39) HSP90AB1MAPTKMT2ARXFP1MEN1
SCHEMBL6671063 0.74 P2RX7 (0.39) MAPTKMT2ARXFP1MEN1POLB
SCHEMBL5912785 0.71 MAPT (0.40) HSP90AB1MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL6645825 0.70 HSP90AB1 (0.44) HSP90AB1MAPTALDH1A1LMNAKMT2A
SCHEMBL6417838 0.70 HSD11B1 (0.41) HSP90AB1MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL6643056 0.70 PIK3R1 (0.39) ADORA1ADORA2AMAPK14
SCHEMBL4467853 0.65 CA1 (0.37) HSP90AB1MAPTALDH1A1LMNATP53
SCHEMBL5778042 0.65 CRHR1 (0.33) HSP90AB1ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2831581 0.65 KMT2A (0.33) MAPTL3MBTL1ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 HSP90AB1 55/4885MAPT 2065/4885L3MBTL1 3668/4885

“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.