SCHEMBL3602955

SCHEMBL3602955

CCOC(=O)C(O)(c1cn(Cc2ccccc2)c2c(N)cccc12)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
MAPK1 P28482 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SERPINE1 P05121 1/20 0.38
PTPN1 P18031 1/20 0.37
PPID Q08752 1/20 0.37
HRH1 P35367 1/20 0.36

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
SCHEMBL3591313 0.89 GLA (0.41) GLAMAPK1CRHBPCRHR2F2RL3
SCHEMBL3592319 0.86 GLA (0.52) GLAMAPK1F2RL3LMNAPOLB
SCHEMBL3597190 0.85 CES2 (0.38) GLAMAPK1CRHBPCRHR2F2RL3
SCHEMBL3596257 0.84 GLA (0.39) GLAMAPK1CRHBPCRHR2F2RL3
SCHEMBL3602094 0.83 GLA (0.42) GLAMAPK1CRHBPCRHR2F2RL3
SCHEMBL3599317 0.82 PTPN1 (0.41) GLAMAPK1CRHBPCRHR2TAAR1
SCHEMBL3595356 0.82 PTPN1 (0.39) GLAMAPK1CRHBPCRHR2TAAR1
SCHEMBL3600722 0.81 LMNA (0.44) GLAMAPK1LMNANPSR1
SCHEMBL3591579 0.81 PTPN1 (0.46) GLAMAPK1F2RL3SERPINE1PTPN1
SCHEMBL3600671 0.80 PTPN1 (0.47) GLAMAPK1CRHBPCRHR2F2RL3

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 GLA 3982/4885MAPK1 703/4885CRHBP 1743/4885

“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.