SCHEMBL583848

SCHEMBL583848

[c]1ccccc1-c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PIM1 P11309 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
NISCH Q9Y2I1 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 1/20 0.33

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
SCHEMBL37815 0.78 KDM4E (0.54) METAP2CYP2A6KDM4EALDH1A1CYP1A2
SCHEMBL8087214 0.74 CYP1A2 (0.36) METAP2CYP2A6KDM4EPIM1ALDH1A1
SCHEMBL359859 0.73 METAP2 (0.37) METAP2CYP2A6KDM4EPIM1ALDH1A1
SCHEMBL712064 0.73 MAPK14 (0.37) CYP3A4CYP2D6FAAH
SCHEMBL715462 0.73 GRM4 (0.42) KDM4EPIM1CYP1A2RAB9A
SCHEMBL28477929 0.72 TDP1 (0.30)
SCHEMBL28986650 0.72 TRPV4 (0.35)
SCHEMBL38500 0.71 CYP2A6 (0.54) CYP2A6KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL27870866 0.70 CYP1A2 (0.40) CYP2A6KDM4EPIM1ALDH1A1CYP1A2
SCHEMBL8503514 0.70 CCR1 (0.55) METAP2CYP2A6KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278343-B2 Pyrrolidines PFIZER INC. (US) 2012-10-02 US claimed
US-20110319426-A1 Substituted Isoindoles ASTRAZENECA AB (SE) 2011-12-29 US claimed
EP-2367814-A1 NEW COMPOUNDS 578 AstraZeneca AB (SE) 2011-09-28 EP claimed
EP-2364296-A1 PYRROLIDINES Pfizer Limited (GB) 2011-09-14 EP claimed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US claimed
EP-1599466-B1 2-OXO-1,3,5-PERHYDROTRIAZAPINE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE, ANGIOGENESIS, AND INFLAMMATRORY DISORDERS BAYER HEALTHCARE LLC (US) 2010-11-24 EP claimed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP claimed
EP-1984331-B1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORP (US) 2010-10-20 EP claimed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US claimed
WO-2010056196-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 WO claimed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
EP-1984331-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-10-29 EP claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO claimed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US claimed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 WO claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM METAP2 1228/4885CYP2A6 4014/4885KDM4E 3902/4885
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 METAP2 179/4885CYP2A6 1458/4885KDM4E 2400/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 METAP2 3788/4885CYP2A6 2394/4885KDM4E 1169/4885
US-20110319426-A1 Substituted Isoindoles PSEN2, PSEN1, SNCA METAP2 2765/4885CYP2A6 4646/4885KDM4E 4394/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A METAP2 3527/4885CYP2A6 548/4885KDM4E 701/4885

“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.