SCHEMBL2950806

SCHEMBL2950806

Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.58
HSD11B1 P28845 1/20 0.55
HSP90AA1 P07900 2/20 0.54
USP2 O75604 1/20 0.54
POLB P06746 4/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3826882 1.00 HPGD (0.58) HPGDHSD11B1HSP90AA1USP2POLB
SCHEMBL3426843 0.98 HPGD (0.55) HPGDHSD11B1HSP90AA1USP2POLB
SCHEMBL22767344 0.87 HPGD (0.58) HPGDHSD11B1HSP90AA1USP2POLB
SCHEMBL22405367 0.86 P2RX7 (0.45) HPGDHSD11B1USP2POLBTSHR
SCHEMBL22767193 0.85 HPGD (0.55) HPGDHSD11B1HSP90AA1USP2POLB
SCHEMBL20750320 0.84 RXFP1 (0.63) HSP90AA1NPC1
SCHEMBL34473520 0.84 RXFP1 (0.63) HSP90AA1NPC1
SCHEMBL4766465 0.84 MAPT (0.61) HPGDHSP90AA1TSHRNPC1CA12
SCHEMBL30309430 0.84 LMNA (0.60) HSP90AA1POLBTSHRKMT2AMEN1
SCHEMBL2522286 0.84 LMNA (0.60) HSP90AA1POLBTSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
EP-1960371-B1 QUINAZOLEINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-20090029968-A1 QUINAZOLINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
EP-1960371-A1 QUINAZOLEINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
WO-2007063293-A1 QUINAZOLEINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE ASTRAZENECA AB (SE) 2007-06-07 WO disclosed
CN-1829704-A Benzo [1,2,5] thiadiazole compounds as CCK2 modulators JANSSEN PHARMACEUTICA NV (BE) 2006-09-06 CN 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 (2 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-20080306068-A1 Suppression cytokines, tumor necrosis factor TNF, TNFRSF1A, IL2 HPGD 891/4885HSD11B1 969/4885HSP90AA1 807/4885
US-20090029968-A1 QUINAZOLINE DERIVATIVES USED AS INHIBITORS OF ERBB TYROSINE KINASE ERBB2, ABL1, ERBB3 HPGD 985/4885HSD11B1 4373/4885HSP90AA1 484/4885

“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.