SCHEMBL15875591

SCHEMBL15875591

Oc1cnnn1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
P2RX7 Q99572 1/20 0.50
SLC9A1 P19634 1/20 0.44
GRM2 Q14416 1/20 0.44
CDC7 O00311 1/20 0.44
RECQL P46063 1/20 0.44
CYP19A1 P11511 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
IDO1 P14902 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL4195851 0.79 HSD11B1 (0.61) HSD11B1P2RX7SLC9A1GRM2CDC7
SCHEMBL11563985 0.77 P2RX7 (0.50) HSD11B1P2RX7SLC9A1GRM2CDC7
SCHEMBL28230792 0.77 P2RX7 (0.50) HSD11B1P2RX7SLC9A1GRM2CDC7
SCHEMBL1371186 0.77 KDM4E (0.54) HSD11B1P2RX7SLC9A1GRM2CDC7
SCHEMBL23336762 0.77 HSD11B1 (0.55) HSD11B1P2RX7CDC7ALDH1A1HPGD
SCHEMBL18536749 0.77 HSD11B1 (0.48) HSD11B1P2RX7SLC9A1GRM2CDC7
SCHEMBL4200799 0.77 HSD11B1 (0.48) HSD11B1P2RX7SLC9A1GRM2CDC7
SCHEMBL2895467 0.76 CDC7 (0.61) HSD11B1P2RX7SLC9A1GRM2CDC7
SCHEMBL15874678 0.75 HSD11B1 (0.65) HSD11B1P2RX7SLC9A1GRM2CDC7
SCHEMBL18359857 0.74 HSD11B1 (0.56) HSD11B1P2RX7SLC9A1GRM2CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943494-B1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN LILLY CO ELI (US) 2017-02-22 EP disclosed
EP-2943494-B1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN LILLY CO ELI (US) 2017-02-22 EP disclosed
CN-104903327-B For treating the pyrido-as autotaxin inhibitor or the pyrrolo--fused pyrimidine derivative of pain 伊莱利利公司 2016-09-07 CN disclosed
EP-2943494-A1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN Eli Lilly and Company (US) 2015-11-18 EP disclosed
CN-104903327-A PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN LILLY CO ELI 2015-09-09 CN disclosed
US-8969555-B2 Bicyclic pyrimidine compounds ELI LILLY AND COMPANY (US) 2015-03-03 US disclosed
US-8969555-B2 Bicyclic pyrimidine compounds ELI LILLY AND COMPANY (US) 2015-03-03 US disclosed
US-8969555-B2 Bicyclic pyrimidine compounds ELI LILLY AND COMPANY (US) 2015-03-03 US disclosed
US-20140200231-A1 Bicyclic Pyrimidine Compounds ELI LILLY AND COMPANY (US) 2014-07-17 US disclosed
US-20140200231-A1 Bicyclic Pyrimidine Compounds ELI LILLY AND COMPANY (US) 2014-07-17 US disclosed
WO-2014110000-A1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN ELI LILLY AND COMPANY (US) 2014-07-17 WO disclosed
WO-2014110000-A1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN ELI LILLY AND COMPANY (US) 2014-07-17 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 (1 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-20140200231-A1 Bicyclic Pyrimidine Compounds ENPP2, HAX1, NUDT1 HSD11B1 3846/4885P2RX7 78/4885SLC9A1 2038/4885

“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.