SCHEMBL645165

SCHEMBL645165

CC(=O)n1cc(C=O)c2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 5/20 0.36
NOTUM Q6P988 2/20 0.36
RAB9A P51151 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
IMPDH2 P12268 1/20 0.35
HTT P42858 1/20 0.34
CNR2 P34972 1/20 0.33
ACHE P22303 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL20503064 0.86 CYP2A6 (0.41) CYP2A6KMT2AMEN1POLBRAB9A
SCHEMBL28511056 0.82 NOTUM (0.49) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL28492551 0.82 KMT2A (0.39) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL28500871 0.81 PTGS2 (0.43) CYP2A6KMT2APOLBRAB9AALDH1A1
SCHEMBL28489993 0.81 PTGS2 (0.46) CYP2A6KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL22154475 0.81 MEN1 (0.41) CYP2A6KMT2AMEN1RAB9APIM1
SCHEMBL30682508 0.81 MEN1 (0.41) CYP2A6KMT2AMEN1RAB9APIM1
SCHEMBL28487972 0.80 MGAM (0.38) CYP2A6KMT2AMEN1GAAPOLB
SCHEMBL28489496 0.79 ELANE (0.47) KMT2AGAAMAPTHPGD
SCHEMBL27999076 0.78 CREBBP (0.45) KMT2APOLBNOTUMALDH1A1HTT

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112028812-A 4-bromoindole compound and preparation method thereof 平顶山学院 2020-12-04 CN claimed
CN-112028812-B 4-bromoindole compound and preparation method thereof 平顶山学院 2022-03-22 CN disclosed
CN-112028812-A 4-bromoindole compound and preparation method thereof 平顶山学院 2020-12-04 CN disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 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-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CYP2A6 3797/4885KMT2A 1295/4885MEN1 1693/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 CYP2A6 4186/4885KMT2A 1162/4885MEN1 1806/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 CYP2A6 4186/4885KMT2A 1162/4885MEN1 1806/4885

“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.