SCHEMBL3502013

SCHEMBL3502013

CC(N1CCN(c2cccc(Cl)c2)C(=O)C1)n1cncc1Cc1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.61
FNTB P49356 16/20 0.61
PGGT1B P53609 12/20 0.61
NRAS P01111 1/20 0.61
HRAS P01112 1/20 0.61

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
SCHEMBL3502018 0.79 FNTA (0.76) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3502023 0.79 FNTA (0.52) FNTAFNTBPGGT1BNRASHRAS
L-778123 Free Base SCHEMBL1683541 0.76 FNTA (1.00) FNTAFNTBPGGT1BNRASHRAS
L-778123 Free Base SCHEMBL31237533 0.76 FNTA (1.00) FNTAFNTBPGGT1BNRASHRAS
L-778123 Free Base SCHEMBL7194384 0.76 FNTA (1.00) FNTAFNTBPGGT1BNRASHRAS
L-778123 Free Base SCHEMBL31146896 0.76 FNTA (0.98) FNTAFNTBPGGT1BNRASHRAS
L-778123 Free Base SCHEMBL7652771 0.76 FNTA (0.98) FNTAFNTBPGGT1BNRASHRAS
L-778123 Free Base SCHEMBL7195543 0.76 FNTA (0.98) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL1683543 0.75 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
Water SCHEMBL7194386 0.75 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989383-B1 Method of treating cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-01-24 US claimed
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-15 US claimed
US-20050137207-A1 Method of treating cancer ROSEN NEAL (US) 2005-06-23 US claimed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US claimed
EP-0820445-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-28 EP claimed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO claimed
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2011-12-01 US disclosed
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO disclosed
US-20100184803-A1 Treatment of Lysosomal Storage Diseases LINK MEDICINE CORPORATION (MA) 2010-07-22 US disclosed
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
US-20070293539-A1 Methods for the treatment of synucleinopathies NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-12-20 US disclosed
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-15 US disclosed
US-20050137207-A1 Method of treating cancer ROSEN NEAL (US) 2005-06-23 US disclosed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US disclosed
US-6160118-A Process for the synthesis of substituted piperazinones via Mitsunobu reaction MERCK & CO., INC. (US) 2000-12-12 US disclosed
US-6140508-A USEFUL IN THE PREPARATION OF FARNESYL-PROTEIN TRANSFERASE INHIBITORS. MERCK & CO., INC. (US) 2000-10-31 US disclosed
US-6060038-A Radiolabeled farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-05-09 US disclosed
EP-0820445-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-28 EP disclosed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 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 (6 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-20030220241-A1 Method of treating cancer ACP3, PSAT1, LCAT FNTA 4/4885FNTB 19/4885PGGT1B 274/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 FNTA 19/4885FNTB 24/4885PGGT1B 191/4885
US-20070293539-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN FNTA 24/4885FNTB 49/4885PGGT1B 2532/4885
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) SNCA, PARK7, NLN FNTA 12/4885FNTB 44/4885PGGT1B 1996/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF FNTA 1/4885FNTB 2/4885PGGT1B 2649/4885
US-20050137207-A1 Method of treating cancer FNTA, GGT1, NTPCR FNTA 1/4885FNTB 12/4885PGGT1B 258/4885

“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.