SCHEMBL989287

SCHEMBL989287

Cc1nc(Br)c(-c2ccc(F)cc2F)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
GRM2 Q14416 1/20 0.40
DHFR P00374 2/20 0.40
LMNA P02545 1/20 0.40
CYP11B2 P19099 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
BRD4 O60885 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GLA P06280 1/20 0.38
CD74 P04233 1/20 0.37

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
SCHEMBL4533975 0.91 ALDH1A1 (0.39) TNFALDH1A1KDM4EGAAMAPT
SCHEMBL6209919 0.82 MAPT (0.47) TNFALDH1A1KDM4EGAAMAPT
SCHEMBL4833510 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL4830285 0.80 MAPT (0.41) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL990110 0.74 CYP2C19 (0.42) TNFALDH1A1KDM4EGAAMAPT
SCHEMBL6209619 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL4836206 0.72 MAPT (0.61) TNFALDH1A1KDM4EMAPTHTT
SCHEMBL3522590 0.70 MAPK14 (0.56)
SCHEMBL27007784 0.68 KMT2A (0.44) ALDH1A1KDM4EGAAMAPTGALR3
SCHEMBL16050509 0.66 TP53 (0.67) GRM2MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-7582652-B2 Suppression cytokines, tumor necrosis factor; melanoma ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
EP-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP disclosed
US-20090036445-A1 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-02-05 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 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 (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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 TNF 1696/4885ALDH1A1 1864/4885KDM4E 2781/4885
US-20090036445-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 TNF 4294/4885ALDH1A1 3145/4885KDM4E 778/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 TNF 4447/4885ALDH1A1 3631/4885KDM4E 900/4885

“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.