SCHEMBL18892001

SCHEMBL18892001

Sn1cc(I)c2cc(N3CCCC3)cnc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.37
CHRNA4 P43681 5/20 0.37
KDM4E B2RXH2 1/20 0.35
IP6K1 Q92551 6/20 0.33
MAP4K4 O95819 1/20 0.33
IP6K3 Q96PC2 1/20 0.32
MAPT P10636 2/20 0.31
MET P08581 1/20 0.31
HSD17B10 Q99714 2/20 0.30
TERT O14746 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CHKA P35790 1/20 0.30

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
SCHEMBL18892213 0.98 CHRNB2 (0.36) CHRNB2CHRNA4KDM4EIP6K1MAP4K4
SCHEMBL22403202 0.88 ACVR1 (0.37) CHRNB2CHRNA4MAPTMETALDH1A1
SCHEMBL18891808 0.87 ACVR1 (0.37) KDM4EMAPTMETHSD17B10MEN1
SCHEMBL21557651 0.87 MAPK1 (0.32) CHRNB2CHRNA4HSD17B10ALDH1A1ALOX15
SCHEMBL21557618 0.82 KDM4E (0.35) CHRNB2CHRNA4KDM4EIP6K1MAP4K4
SCHEMBL18891806 0.82 PIM3 (0.33) KDM4EALDH1A1
SCHEMBL18892242 0.82 MET (0.40) KDM4EMAPTMETHSD17B10MEN1
SCHEMBL18892219 0.81 TP53 (0.36) CHRNB2CHRNA4KDM4EIP6K1MAP4K4
SCHEMBL25970628 0.81 BRD4 (0.44) CHRNB2CHRNA4KDM4EIP6K1MAP4K4
SCHEMBL21557955 0.79

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-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2021-07-22 US disclosed
US-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2021-05-04 US disclosed
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2020-09-10 US disclosed
EP-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 EP disclosed
EP-3170822-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2017-05-24 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 (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-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 CHRNB2 2890/4885CHRNA4 4004/4885KDM4E 3007/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 CHRNB2 2080/4885CHRNA4 3219/4885KDM4E 1475/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 CHRNB2 2890/4885CHRNA4 4004/4885KDM4E 3007/4885

“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.