SCHEMBL12846524

SCHEMBL12846524

CC(C)(C)c1ccc2[nH]c(C(C)(C)C)c(N)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.54
▸ HTR1D P28221 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GHSR Q92847 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRA4 P48169 1/20 0.40
▸ GABRA6 Q16445 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL13362014 0.85 KIF11 (0.41) KIF11HTR1DMEN1KMT2AGHSR
SCHEMBL15099974 0.82 ALDH1A1 (0.47) KIF11MEN1KMT2AALDH1A1GAA
SCHEMBL10067362 0.80 MEN1 (0.59) KIF11HTR1DMEN1KMT2AGHSR
SCHEMBL29361452 0.78 KIF11 (0.81) KIF11HTR1DMEN1KMT2AGHSR
SCHEMBL29535 0.78 KIF11 (0.81) KIF11HTR1DMEN1KMT2AGHSR
SCHEMBL29956720 0.78 KIF11 (0.50) KIF11HTR1DMEN1KMT2AGHSR
SCHEMBL12827128 0.78 KIF11 (0.42) KIF11HTR1DMEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL25176966 0.77 KIF11 (0.78) KIF11HTR1DMEN1KMT2AGHSR
SCHEMBL31377086 0.76 HPGD (0.56) KIF11MEN1KMT2AALDH1A1GAA
Methyl Alcohol SCHEMBL4018989 0.75 KIF11 (0.75) KIF11HTR1DMEN1KMT2AGHSR

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-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 — — US disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 — — US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 — — US disclosed
US-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 — — US disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 — — US disclosed
US-8415387-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-09 — — US disclosed
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US disclosed
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 — — US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 — — US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — 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 (7 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-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KIF11 4624/4885HTR1D 3898/4885MEN1 4687/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KIF11 4624/4885HTR1D 3898/4885MEN1 4687/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 KIF11 3667/4885HTR1D 476/4885MEN1 4672/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KIF11 4624/4885HTR1D 3898/4885MEN1 4687/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KIF11 4624/4885HTR1D 3898/4885MEN1 4687/4885
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KIF11 4624/4885HTR1D 3898/4885MEN1 4687/4885
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KIF11 4624/4885HTR1D 3898/4885MEN1 4687/4885

“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.

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