SCHEMBL2978759

SCHEMBL2978759

CN1CCCN(CC[O])CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHKA P35790 5/20 0.46
SIGMAR1 Q99720 3/20 0.43
CA2 P00918 1/20 0.43
NCF1 P14598 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PAOX Q6QHF9 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8752 0.90 PAOX (0.45) SIGMAR1PAOXTDP1
SCHEMBL2974911 0.86 PAOX (0.46) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL27250180 0.85 CHKA (0.52) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL378212 0.84
SCHEMBL23269590 0.82 CHKA (0.50) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL11955737 0.82 CHKA (0.48) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL23269592 0.80 CHKA (0.48) CHKASIGMAR1CA2NCF1PRMT6
SCHEMBL9204 0.79
SCHEMBL5241070 0.79
SCHEMBL12717127 0.78 CHKA (0.47) CHKASIGMAR1CA2NCF1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP claimed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO claimed
US-7772432-B2 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
US-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA 2005-02-17 US disclosed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP disclosed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 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 (3 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-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors IL6, IL6ST, IL2 CHKA 591/4885SIGMAR1 1256/4885CA2 1933/4885
US-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 CHKA 1015/4885SIGMAR1 1282/4885CA2 2215/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 CHKA 875/4885SIGMAR1 1121/4885CA2 2546/4885

“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.