SCHEMBL12376774

SCHEMBL12376774

CC(C)(C)c1cncn(Cc2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.50
CYP11B2 P19099 7/20 0.50
IDO1 P14902 2/20 0.50
HPGDS O60760 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
P2RX7 Q99572 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
ADORA2B P29275 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GRK2 P25098 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
GRK1 Q15835 2/20 0.40
GRK5 P34947 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
SCHEMBL3912721 0.76 CYP11B1 (0.54) CYP11B1CYP11B2IDO1HPGDSSMN1; SMN2
SCHEMBL12794259 0.76 HSP90AA1 (0.55) CYP11B1CYP11B2IDO1HPGDSSMN1; SMN2
SCHEMBL13101585 0.74 ALDH1A1 (0.51) CYP11B1CYP11B2IDO1SMN1; SMN2KDM4E
SCHEMBL28017590 0.72 CYP11B2 (0.51) CYP11B1CYP11B2IDO1KDM4ELMNA
SCHEMBL6496747 0.72 CYP11B1 (0.63) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL6502454 0.72 CYP11B1 (0.61) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL12376644 0.72 BRD4 (0.57) CYP11B1CYP11B2IDO1SMN1; SMN2KDM4E
SCHEMBL12411780 0.71 BRD4 (0.65) CYP11B1CYP11B2SMN1; SMN2KDM4E
SCHEMBL3913086 0.71 ABCC8 (0.49) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL12561621 0.70 BRD4 (0.67) CYP11B1CYP11B2SMN1; SMN2KDM4EP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC CYP11B1 194/4885CYP11B2 190/4885IDO1 2645/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK CYP11B1 306/4885CYP11B2 349/4885IDO1 935/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 CYP11B1 2/4885CYP11B2 3/4885IDO1 1752/4885

“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.