SCHEMBL6400121

SCHEMBL6400121

CCn1c(CC#N)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.51

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
SCHEMBL14439688 0.88 POLB (0.56) PKMMEN1KMT2AHTTMAPT
SCHEMBL29732951 0.83 RAB9A (0.60) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL24553602 0.83 RAB9A (0.60) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL3874703 0.81 RAB9A (0.57) PKMCYP2D6MAPTSMN1; SMN2NPC1
SCHEMBL11338146 0.81 LMNA (0.72) MEN1KMT2ACYP1A2CYP2D6HTT
SCHEMBL11743461 0.81 KDM4E (0.58) MEN1KMT2ACYP1A2CYP2D6ALDH1A1
SCHEMBL2900203 0.81 MEN1 (0.66) PKMMEN1KMT2ACYP1A2CYP2D6
SCHEMBL4718416 0.80 RPS6KA5 (0.49) PKMMEN1KMT2ACYP2D6HTT
Iodide SCHEMBL2892303 0.80 MEN1 (0.64) PKMMEN1KMT2ACYP1A2CYP2D6
Iodide SCHEMBL2900263 0.80 MEN1 (0.64) PKMMEN1KMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107416-A1 17-hydroxy 4-aza androstan -3-ones as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-05-19 US claimed
US-20070203134-A1 Benzimidazole Acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-30 US disclosed
US-20070203134-A1 Benzimidazole Acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-30 US disclosed
US-20050153978-A1 Medicaments GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1487441-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003080125-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 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-20050107416-A1 17-hydroxy 4-aza androstan -3-ones as androgen receptor modulators SHBG, CYP19A1, NR5A1 PKM 3506/4885MEN1 4077/4885KMT2A 1282/4885
US-20070203134-A1 Benzimidazole Acetonitriles PKD1, GPR119, CCNI PKM 215/4885MEN1 1391/4885KMT2A 2769/4885
US-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 PKM 1825/4885MEN1 261/4885KMT2A 3764/4885

“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.