SCHEMBL1120438

SCHEMBL1120438

O=C(O)Cn1c2c(c3cc(Br)ccc31)CCN(c1ccccc1)C2=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 15/20 0.61
AKR1B10 O60218 14/20 0.61
AKR1A1 P14550 10/20 0.61
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CDK1 P06493 1/20 0.42
DNMT1 P26358 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL1120377 0.87 AKR1B1 (0.61) AKR1B1AKR1B10AKR1A1KDM4EALDH1A1
SCHEMBL1120357 0.87 AKR1B1 (0.58) AKR1B1AKR1B10AKR1A1KDM4EMEN1
SCHEMBL1120381 0.87 AKR1B1 (0.66) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL4303389 0.85 AKR1B1 (0.56) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL1120582 0.84 AKR1B1 (0.63) AKR1B1AKR1B10AKR1A1KDM4EMAPT
SCHEMBL1120396 0.83 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1MEN1ALDH1A1
SCHEMBL1120370 0.83 AKR1B1 (0.59) AKR1B1AKR1B10AKR1A1KDM4EMEN1
SCHEMBL1120467 0.78 AKR1B1 (0.58) AKR1B1AKR1B10AKR1A1KDM4EMEN1
SCHEMBL2846607 0.76 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
SCHEMBL1120355 0.76 AKR1B10 (0.55) AKR1B1AKR1B10AKR1A1

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-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 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 (5 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-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B1 1678/4885AKR1B10 2570/4885AKR1A1 2547/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B1 1678/4885AKR1B10 2570/4885AKR1A1 2547/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B1 1678/4885AKR1B10 2570/4885AKR1A1 2547/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AKR1B1 1678/4885AKR1B10 2570/4885AKR1A1 2547/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 AKR1B1 1481/4885AKR1B10 2349/4885AKR1A1 2369/4885

“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.