SCHEMBL989285

SCHEMBL989285

Fc1ccc(-c2cnc(CCc3ccccc3)n2Br)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
GRM5 P41594 3/20 0.35
KIT P10721 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
CDK7 P50613 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIM3 Q86V86 1/20 0.35
HASPIN Q8TF76 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
PARK7 Q99497 3/20 0.34
TP53 P04637 2/20 0.34
MDM2 Q00987 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34

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
SCHEMBL990110 0.70 CYP2C19 (0.42) CYP11B2KITPIM1FLT3CDK7
SCHEMBL15602058 0.63 GRM2 (0.45) CYP11B1CYP11B2POLBRAB9ATP53
SCHEMBL16191048 0.61 HTR2A (0.51) HTR2AHTR2CPOLBRAB9AALDH1A1
SCHEMBL10819090 0.60 SCN9A (0.46) CYP11B2RAB9AALDH1A1
SCHEMBL14268238 0.60 GRM2 (0.47) CYP11B1CYP11B2KCNH2HTR2APOLB
SCHEMBL654154 0.60 TAAR1 (0.56) KCNH2RAB9AALDH1A1KDM4EALOX15
SCHEMBL8591746 0.59 TAAR1 (0.65) ALDH1A1KDM4E
SCHEMBL412228 0.59 MEN1 (0.49) HTR2CGRM2ALDH1A1KDM4ETSHR
SCHEMBL30216000 0.59 MEN1 (0.49) HTR2CGRM2ALDH1A1KDM4ETSHR
SCHEMBL1826696 0.59 PIK3R1 (0.43) FLT3RAB9AALDH1A1MAPK1MAPK14

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 2 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-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 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 (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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 CYP11B1 2916/4885CYP11B2 3389/4885GRM5 2763/4885

“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.