SCHEMBL428754

SCHEMBL428754

OCCCCc1nc(NN=Cc2c[nH]c3ccccc23)cc(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
GAA P10253 6/20 0.53
LMNA P02545 5/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PIKFYVE Q9Y2I7 1/20 0.53
THRB P10828 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 4/20 0.46
KDM4E B2RXH2 5/20 0.46
DCTPP1 Q9H773 1/20 0.46
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
APAF1 O14727 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL10196654 1.00 MAPT (0.53) MAPTMEN1KMT2AGAALMNA
SCHEMBL428753 1.00 MAPT (0.53) MAPTMEN1KMT2AGAALMNA
SCHEMBL13758963 0.92 MAPT (0.53) MAPTMEN1KMT2AGAALMNA
SCHEMBL428707 0.89 MAPT (0.51) MAPTMEN1KMT2AGAALMNA
SCHEMBL10196334 0.89 MAPT (0.51) MAPTMEN1KMT2AGAALMNA
SCHEMBL428706 0.89 MAPT (0.51) MAPTMEN1KMT2AGAALMNA
SCHEMBL1721328 0.88 MAPT (0.50) MAPTMEN1KMT2AGAALMNA
SCHEMBL1721324 0.88 MAPT (0.50) MAPTMEN1KMT2AGAALMNA
SCHEMBL428888 0.87 PIKFYVE (0.51) MAPTMEN1KMT2AGAALMNA
SCHEMBL10196651 0.87 PIKFYVE (0.51) MAPTMEN1KMT2AGAALMNA

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458687-B1 PYRIMIDINE COMPOUNDS AS INTERLEUKIN-12 (IL-12) INHIBITORS SYNTA PHARMACEUTICALS CORP (US) 2012-01-11 EP claimed
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS CORP. (US) 2010-05-13 US claimed
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss SYNTA PHARMACEUTICALS CORP. (US) 2008-03-06 US claimed
EP-1626725-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS Synta Pharmaceuticals Corporation (US) 2006-02-22 EP claimed
EP-1458687-A4 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2005-03-23 EP claimed
WO-2005000404-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS, CORP. (US) 2005-01-06 WO claimed
EP-1458687-A2 PYRIMIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2004-09-22 EP claimed
WO-2003047516-A2 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2003-06-12 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
EP-1458687-B1 PYRIMIDINE COMPOUNDS AS INTERLEUKIN-12 (IL-12) INHIBITORS SYNTA PHARMACEUTICALS CORP (US) 2012-01-11 EP disclosed
US-20110288081-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF SYNTA PHARMACEUTICALS CORPORATION (US) 2011-11-24 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7851466-B2 Pyrimidine compounds and uses thereof SYNTA PHARMACEUTICALS CORP. (US) 2010-12-14 US disclosed
WO-2005000404-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS, CORP. (US) 2005-01-06 WO disclosed
EP-1458687-A2 PYRIMIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2004-09-22 EP disclosed
US-20040048873-A1 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP., A DELAWARE CORPORATIO 2004-03-11 US disclosed
US-6693097-B2 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. 2004-02-17 US disclosed
US-20030139403-A1 Pyrimidine compounds SHIONOGI BIORESEARCH CORP. 2003-07-24 US disclosed
WO-2003047516-A2 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2003-06-12 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 (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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MAPT 238/4885MEN1 4796/4885KMT2A 4300/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885MEN1 3751/4885KMT2A 1509/4885
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 MAPT 1747/4885MEN1 149/4885KMT2A 2431/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 MAPT 1747/4885MEN1 149/4885KMT2A 2431/4885
US-20110288081-A1 PYRIMIDINE COMPOUNDS AND USES THEREOF RORC, IL23R, ORC3 MAPT 4267/4885MEN1 4837/4885KMT2A 4103/4885
US-20030139403-A1 Pyrimidine compounds CBR1, CBR3, CCNO MAPT 4042/4885MEN1 4719/4885KMT2A 2347/4885
US-20040048873-A1 Pyrimidine compounds CBR1, CBR3, CCNO MAPT 4185/4885MEN1 4656/4885KMT2A 2687/4885

“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.