SCHEMBL5492681

SCHEMBL5492681

Nc1ccc(C#CC2CC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTPN11 Q06124 1/20 0.39
▸ AR P10275 12/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ CRBN Q96SW2 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31125232 0.87 GAA (0.42) GLAPOLBGAATSHRPTPN11
SCHEMBL17654544 0.78 AR (0.45) AR
SCHEMBL287497 0.78 PTPN11 (0.41) PTPN11CRBNMAPT
SCHEMBL31125221 0.75 CYP3A4 (0.42) POLBGAATSHRPTPN11CRBN
SCHEMBL31357853 0.75 PTPN11 (0.41) PTPN11
SCHEMBL14592943 0.74 TSHR (0.53) GLAPOLBGAATSHRNR1H2
SCHEMBL31125223 0.73 KDM4E (0.46) GAAPTPN11ARMAPTSMN1; SMN2
SCHEMBL17666242 0.73 AR (0.49) AR
SCHEMBL5495682 0.72 MAPT (0.50) GLAPOLBGAATSHRPTPN11
SCHEMBL5501538 0.72 MAPT (0.50) GLAPOLBGAATSHRPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 — — EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 — — EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 GLA 3988/4885POLB 1994/4885GAA 3670/4885

“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.

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