SCHEMBL12197895

SCHEMBL12197895

CC(C)CC(O)(c1ccncc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
CYP19A1 P11511 3/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KIF11 P52732 2/20 0.31
AAK1 Q2M2I8 3/20 0.31
FDPS P14324 1/20 0.31
ATM Q13315 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL12820352 0.82 CYP3A4 (0.39) CYP3A4CYP19A1USP2RAB9ACYP1A2
SCHEMBL12197702 0.80 MEN1 (0.48) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL15119932 0.79 CYP3A4 (0.37) CYP3A4CYP19A1USP2RAB9ACYP1A2
SCHEMBL11681879 0.74 NAAA (0.39) CYP3A4MEN1KMT2AATM
SCHEMBL20097983 0.74 KIF11 (0.39) CYP3A4CYP19A1USP2RAB9AKIF11
SCHEMBL12197886 0.72 AAK1 (0.40) CYP3A4CYP19A1USP2RAB9AKIF11
SCHEMBL13741610 0.71 CYP19A1 (0.42) CYP3A4CYP19A1USP2RAB9ACYP1A2
SCHEMBL18270401 0.66 KIF11 (0.43) CYP3A4CYP19A1USP2RAB9ACYP1A2
SCHEMBL20710610 0.65 CYP19A1 (0.48) CYP3A4CYP19A1USP2RAB9AMEN1
SCHEMBL2554687 0.65 CYP19A1 (0.48) CYP3A4CYP19A1USP2RAB9AMEN1

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-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9199996-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-9045482-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-02 US disclosed
US-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-01-01 US disclosed
US-8859561-B2 Pyrido[4,3-b]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-14 US disclosed
US-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184304-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 US disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 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 (4 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-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 CYP3A4 568/4885CYP19A1 3838/4885USP2 3305/4885
US-20130184304-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP3A4 574/4885CYP19A1 3876/4885USP2 3280/4885
US-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP3A4 574/4885CYP19A1 3876/4885USP2 3280/4885
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP3A4 574/4885CYP19A1 3876/4885USP2 3280/4885

“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.