SCHEMBL1120636

SCHEMBL1120636

CCC1c2[nH]c3ccc(Cl)cc3c2CCN1C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.60
HTR2A P28223 8/20 0.58
HTR2C P28335 6/20 0.58
SIRT1 Q96EB6 2/20 0.51
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2B P41595 1/20 0.46

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
SCHEMBL21732153 0.89 KIF11 (0.56) KIF11HTR2AHTR2CSIRT1LMNA
SCHEMBL21731777 0.86 KIF11 (0.66) KIF11HTR2AHTR2CSIRT1LMNA
SCHEMBL21731769 0.86 HTR2A (0.57) KIF11HTR2AHTR2CSIRT1LMNA
SCHEMBL1120594 0.86 KIF11 (0.60) KIF11SIRT1LMNASMN1; SMN2
SCHEMBL1120637 0.83 KIF11 (0.61) KIF11HTR2AHTR2CSIRT1HTR2B
SCHEMBL21732060 0.82 KIF11 (0.53) KIF11HTR2AHTR2CSIRT1LMNA
SCHEMBL763566 0.82 MEN1 (0.59) KIF11HTR2AHTR2CSIRT1LMNA
SCHEMBL12456418 0.80 KIF11 (0.51) KIF11HTR2AHTR2CSIRT1
SCHEMBL12456417 0.80 KIF11 (0.51) KIF11HTR2AHTR2CSIRT1
SCHEMBL21731609 0.79 KIF11 (0.55) KIF11HTR2AHTR2CSIRT1LMNA

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 KIF11 3101/4885HTR2A 12/4885HTR2C 3/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885HTR2A 12/4885HTR2C 3/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885HTR2A 12/4885HTR2C 3/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885HTR2A 12/4885HTR2C 3/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 KIF11 3055/4885HTR2A 12/4885HTR2C 2/4885

“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.