SCHEMBL19951014

SCHEMBL19951014

COc1ccc2nc(I)c(Br)n2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ MTNR1A P48039 2/20 0.36
▸ APP P05067 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALPG P10696 1/20 0.35
▸ TRIM33 Q9UPN9 3/20 0.34
▸ TRIM24 O15164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 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
SCHEMBL19962292 0.69 IRAK4 (0.41) ALDH1A3KDM4ERAB9ATRIM33TRIM24
SCHEMBL29833387 0.69 TRIM33 (0.53) ALDH1A3NR1H4KDM4EALDH1A1NPC1
SCHEMBL29671894 0.69 NPM1 (0.49) PKMKDM4EALDH1A1NPC1RAB9A
SCHEMBL24554001 0.69 NPM1 (0.49) PKMKDM4EALDH1A1NPC1RAB9A
SCHEMBL2970213 0.67 APP (0.55) PKMALDH1A3APPKDM4EALDH1A1
SCHEMBL23414842 0.66 ALPG (0.40) PKMMTNR1BMTNR1AALPGMAPT
SCHEMBL24654969 0.66 PSMD14 (0.40) PKMALDH1A3MTNR1BMTNR1AAPP
SCHEMBL26584231 0.66 PKM (0.50) PKMMTNR1BMTNR1AKDM4EALDH1A1
SCHEMBL9883727 0.66 PSMD14 (0.45) PKMALDH1A3MTNR1BMTNR1AAPP
SCHEMBL16795824 0.66 PIK3CG (0.43) ALDH1A3APPKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130754-B2 Substituted benzamides as RIPK2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-28 — — US disclosed
US-20190048000-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2019-02-14 — — US disclosed
US-10138241-B2 Substituted benzamides as RIPK2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-27 — — US disclosed
US-20180072717-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-15 — — 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-20190048000-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 PKM 2054/4885ALDH1A3 4391/4885MTNR1B 3736/4885
US-20180072717-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK3 PKM 1946/4885ALDH1A3 4347/4885MTNR1B 3803/4885
US-10138241-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 PKM 1058/4885ALDH1A3 3654/4885MTNR1B 4516/4885
US-11130754-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 PKM 1058/4885ALDH1A3 3654/4885MTNR1B 4516/4885

“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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