SCHEMBL6821062

SCHEMBL6821062

COc1cc(CNC(C)=O)ccc1N

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
MAPK10 P53779 1/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
POLB P06746 1/20 0.49
EPHX2 P34913 1/20 0.47

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
SCHEMBL19190038 0.88 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1TSHRMAPK10
SCHEMBL6171639 0.85 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1TSHRMAPK10
SCHEMBL5707095 0.83 MTNR1A (0.69) ALDH1A1TSHRMTNR1AMTNR1B
SCHEMBL7366509 0.82 KMT2A (0.53) ALDH1A1KMT2ATSHRPOLB
SCHEMBL5718761 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRMAPK10
SCHEMBL23997386 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1TSHRMAPK10
SCHEMBL30336782 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1TSHRMAPK10
SCHEMBL5681740 0.80 ALDH1A1 (0.85) ALDH1A1KMT2AMEN1TSHRMAPK10
SCHEMBL2009538 0.80 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1TSHRMAPK10
SCHEMBL27941200 0.80 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MTNR1AMTNR1B

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-11236084-B2 Substituted azaindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2022-02-01 US disclosed
EP-3649127-B1 SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-08 EP disclosed
US-20210188840-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 US disclosed
WO-2019008011-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-10 WO disclosed
WO-2004050646-A1 1, 2, 5-THIADIAZOLIDIN-3-ONE 1, 1 DIOXIDE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PTP1B ASTRAZENECA AB (SE) 2004-06-17 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 (2 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-11236084-B2 Substituted azaindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 ALDH1A1 3603/4885KMT2A 816/4885MEN1 1465/4885
US-20210188840-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, MAP3K14 ALDH1A1 3864/4885KMT2A 833/4885MEN1 1232/4885

“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.