SCHEMBL4713938

SCHEMBL4713938

NCc1n[nH]c(=O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 1.00
AR P10275 8/20 0.64
PARP1 P09874 1/20 0.64
LMNA P02545 2/20 0.62
POLB P06746 1/20 0.62
WDR77 Q9BQA1 3/20 0.58
TSHR P16473 1/20 0.57

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
SCHEMBL31057993 1.00 PRMT5 (1.00) PRMT5ARPARP1LMNAPOLB
Hydrochloric Acid SCHEMBL6342244 0.98 PRMT5 (0.96) PRMT5ARPARP1LMNAPOLB
Hydrochloric Acid SCHEMBL13721136 0.96 PRMT5 (0.93) PRMT5ARPARP1LMNAPOLB
SCHEMBL23909125 0.81 PRMT5 (0.68) PRMT5ARPARP1LMNAPOLB
SCHEMBL29404780 0.81 PRMT5 (0.68) PRMT5ARPARP1LMNAPOLB
SCHEMBL7462930 0.81 PRMT5 (0.68) PRMT5ARPARP1LMNAPOLB
SCHEMBL4817305 0.81 PRMT5 (0.68) PRMT5ARPARP1LMNAPOLB
SCHEMBL6328127 0.81 PRMT5 (0.68) PRMT5ARPARP1LMNAPOLB
SCHEMBL21575704 0.81 PRMT5 (0.68) PRMT5ARPARP1LMNAPOLB
SCHEMBL30231202 0.81 PRMT5 (0.68) PRMT5ARPARP1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
EP-1677799-A4 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2008-09-10 EP disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP disclosed
EP-1677799-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-07-12 EP disclosed
US-6949549-B2 Imidazolophthalazine derivatives as ligands for GABAA receptors MERCK SHARP & DOHME LTD. (GB) 2005-09-27 US disclosed
US-6919351-B2 Aza-and polyaza-naphthalenyl-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-19 US disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 WO disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 WO disclosed
US-20040147517-A1 Imidazolophthalazine derivatives as ligands for gabaa receptors MERCK SHARP & DOHME LTD. (GB) 2004-07-29 US disclosed
EP-1326611-A4 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2004-04-07 EP disclosed
US-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2004-02-19 US disclosed
EP-1326611-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
WO-2003035615-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed
WO-2002030426-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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 (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-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors POLI, DUT, NAAA PRMT5 1297/4885AR 2308/4885PARP1 24/4885
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain PER2, CNR2, OPRD1 PRMT5 3401/4885AR 4781/4885PARP1 887/4885
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors PRMT1, PRMT5, PRMT6 PRMT5 2/4885AR 3300/4885PARP1 488/4885
US-20040147517-A1 Imidazolophthalazine derivatives as ligands for gabaa receptors GABRA5, GABRP, GABRA6 PRMT5 1367/4885AR 395/4885PARP1 3326/4885

“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.