SCHEMBL2174905

SCHEMBL2174905

BrC=C(c1ccccc1)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.59
CYP11B2 P19099 2/20 0.59
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
PLOD2 O00469 1/20 0.48
PLOD3 O60568 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
PLOD1 Q02809 1/20 0.48
HIF1A Q16665 1/20 0.48
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 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
SCHEMBL3026802 1.00 CYP19A1 (0.59) CYP19A1CYP11B2KMT2AMEN1PLOD2
SCHEMBL28004787 0.91 CYP19A1 (0.45) CYP19A1CYP11B2KMT2AMEN1PLOD2
SCHEMBL1444874 0.86 ALDH1A1 (0.43) CYP19A1CYP11B2ALDH1A1CYP1A2CYP3A4
SCHEMBL6776074 0.75 KMT2A (0.55) CYP19A1CYP11B2KMT2AMEN1PLOD2
SCHEMBL8937512 0.75 KMT2A (0.61) CYP19A1CYP11B2KMT2AMEN1PLOD2
SCHEMBL6776075 0.75 KMT2A (0.55) CYP19A1CYP11B2KMT2AMEN1PLOD2
SCHEMBL6419179 0.75 CYP19A1 (0.55) CYP19A1CYP11B2KMT2AMEN1PLOD2
SCHEMBL8937507 0.75 KMT2A (0.61) CYP19A1CYP11B2KMT2AMEN1PLOD2
SCHEMBL8937855 0.75 KMT2A (0.61) CYP19A1CYP11B2KMT2AMEN1PLOD2
SCHEMBL6419131 0.75 CYP19A1 (0.55) CYP19A1CYP11B2KMT2AMEN1PLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
CN-102271508-A Pyrido (4,3-b) indoles containing rigid moieties 2011-12-07 CN disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A CYP19A1 2948/4885CYP11B2 2615/4885KMT2A 366/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A CYP19A1 2948/4885CYP11B2 2615/4885KMT2A 366/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A CYP19A1 2948/4885CYP11B2 2615/4885KMT2A 366/4885

“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.