SCHEMBL6244247

SCHEMBL6244247

COC(=O)c1cccc2c1nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
P2RX3 P56373 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
PTGER4 P35408 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL6244926 0.89 SLC22A12 (0.41) TSHRMAPK1CNR2CNR1ALDH1A1
SCHEMBL6247065 0.83 TSHR (0.39) TSHRMAPK1ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL6247306 0.82 TSHR (0.40) TSHRMAPK1CNR2CNR1ALDH1A1
SCHEMBL6247632 0.82 KDM4E (0.42) RXFP1TSHRMAPK1CNR2ALDH1A1
SCHEMBL6218696 0.81 CNR2 (0.48) TSHRMAPK1CNR2ALDH1A1SMN1; SMN2
SCHEMBL6491642 0.81 KDM4E (0.41) RXFP1TSHRMAPK1CNR2ALDH1A1
SCHEMBL6245681 0.81 ALDH1A1 (0.40) TSHRMAPK1ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL6248942 0.81 TSHR (0.40) TSHRMAPK1CNR2CNR1ALDH1A1
SCHEMBL6242728 0.81 TSHR (0.40) TSHRMAPK1CNR2CNR1ALDH1A1
SCHEMBL6280074 0.79 TSHR (0.38) TSHRMAPK1CNR2CNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261284-A1 Diazinopyrimidines CHEN JIAN J 2005-11-24 US disclosed
US-6943158-B2 Diazinopyrimidines ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions HOFFMANN-LA ROCHE INC. 2004-05-20 US disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20050261284-A1 Diazinopyrimidines MAPK6, MAPK1, MAP2K6 RXFP1 467/4885TSHR 1040/4885MAPK1 2/4885
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 RXFP1 3640/4885TSHR 3860/4885MAPK1 4347/4885
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions FGFR1, MAPK1, FGF1 RXFP1 260/4885TSHR 3516/4885MAPK1 2/4885

“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.