SCHEMBL6086178

SCHEMBL6086178

Cc1ccccc1Cn1ccc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
HTR6 P50406 1/20 0.51
NPC1 O15118 1/20 0.49
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
RAB9A P51151 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.46
PLAU P00749 1/20 0.45
CHRNE Q04844 1/20 0.44

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
SCHEMBL30577034 1.00 CDK4 (0.55) CDK4CCND1CYP11B1CYP11B2HTR6
SCHEMBL6085123 0.85 CDK4 (0.47) CDK4CCND1CYP11B1CYP11B2HTR6
SCHEMBL29073984 0.82 HTR2A (0.53) HTR2AHTR2CKMT2A
SCHEMBL29073981 0.80 HTR2C (0.52) HTR6HTR2AHTR2CPOLBKMT2A
SCHEMBL3429972 0.79 PLAU (0.44) CYP11B1CYP11B2POLBPLAU
SCHEMBL17454529 0.79 CDK4 (0.55) CDK4CCND1HTR6HTR2AHTR2C
SCHEMBL5249170 0.79 CDK4 (0.55) CDK4CCND1HTR6HTR2AHTR2C
SCHEMBL6087404 0.79 HTR6 (0.56) CDK4CCND1HTR6KMT2APLAU
SCHEMBL6086530 0.79 CDK4 (0.55) CDK4CCND1HTR6NPC1RAB9A
SCHEMBL31257964 0.79 CDK4 (0.55) CDK4CCND1HTR6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1250542-C 2-(1H-indol-3-yl)-2-oxo-acetamides with antitumor activity NOVUSPHARMA SPA (IT) 2006-04-12 CN disclosed
US-6987122-B2 2-(1H-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2006-01-17 US disclosed
EP-1244652-B1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY CELL THERAPEUTICS EUROPE SRL (IT) 2005-08-24 EP disclosed
US-6753342-B2 ANTICARCINOGENIC AGENTS FOR LUNG AND COLON CANCER TREATMENT NOVUSPHARMA S.P.A. (IT) 2004-06-22 US disclosed
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2004-02-12 US disclosed
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung NOVUSPHARMA S.P.A. (IT) 2003-08-21 US disclosed
EP-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
CN-1413205-A 2- (1H-indol-3-yl) -2-oxo-acetamides with antitumor activity NOVUSPHARMA SPA (IT) 2003-04-23 CN disclosed
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 WO disclosed
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 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 (2 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-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung IDO2, IDO1, TXNRD2 CDK4 570/4885CCND1 265/4885CYP11B1 1312/4885
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity IDO1, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CDK4 1693/4885CCND1 1793/4885CYP11B1 2008/4885

“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.