SCHEMBL14839769

SCHEMBL14839769

O=C(O)N1CCN(Cc2ccc(Br)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
TRPV6 Q9H1D0 1/20 0.52
KCNH2 Q12809 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
FAAH O00519 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44

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
SCHEMBL2232064 0.83 FAAH (0.44) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL3116168 0.82 MEN1 (0.53) MEN1KMT2AATMFAAHHRH3
SCHEMBL2024157 0.82 KMT2A (0.53) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL1977079 0.82 KMT2A (0.77) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL209098 0.82 TRPV6 (0.55) MEN1KMT2AATMTRPV6FAAH
SCHEMBL30042412 0.80 MEN1 (0.49) MEN1KMT2AATMTRPV6KCNH2
SCHEMBL2933302 0.80 MEN1 (0.49) MEN1KMT2AATMTRPV6KCNH2
SCHEMBL3617972 0.80 ALDH1A1 (0.68) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL3869875 0.79 HRH3 (0.55) TRPV6KCNH2CACNA1IALDH1A1HRH3
SCHEMBL29725200 0.79 HRH3 (0.55) TRPV6KCNH2CACNA1IALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746072-A1 2H-INDAZOLE DERIVATIVES AS CDK4 AND CDK6 INHIBITORS AND THERAPEUTIC USES THEREOF Beta Pharma, Inc. (US) 2020-12-09 EP disclosed
US-10696678-B2 Kinase inhibitor, and preparing method and pharmaceutical use thereof GAN & LEE PHARMACEUTICALS (CN) 2020-06-30 US disclosed
WO-2019148161-A1 2H-INDAZOLE DERIVATIVES AS CDK4 AND CDK6 INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2019-08-01 WO disclosed
US-20180305363-A1 KINASE INHIBITOR, AND PREPARING METHOD AND PHARMACEUTICAL USE THEREOF GAN&LEE PHARMACEUTICALS (CN) 2018-10-25 US disclosed
EP-3369734-A1 KINASE INHIBITOR, AND PREPARING METHOD AND PHARMACEUTICAL USE THEREOF Gan & Lee Pharmaceuticals (CN) 2018-09-05 EP disclosed
US-20130096136-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
US-20130090327-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-11 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 (4 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-10696678-B2 Kinase inhibitor, and preparing method and pharmaceutical use thereof CDK1, MAP3K1, CSNK1A1 MEN1 427/4885KMT2A 1164/4885ATM 476/4885
US-20130096136-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 MEN1 2433/4885KMT2A 3825/4885ATM 1098/4885
US-20180305363-A1 KINASE INHIBITOR, AND PREPARING METHOD AND PHARMACEUTICAL USE THEREOF CDK1, MAP3K1, CSNK1A1 MEN1 427/4885KMT2A 1164/4885ATM 476/4885
US-20130090327-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 MEN1 2433/4885KMT2A 3825/4885ATM 1098/4885

“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.