SCHEMBL1991828

SCHEMBL1991828

CC(C)(C)c1nc2ncc(Br)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
GRK5 P34947 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31

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
SCHEMBL18806205 0.81 NPC1 (0.34) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL18247884 0.78 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL31368726 0.76 NPC1 (0.31) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL12610394 0.74 MAP4K4 (0.61) SMN1; SMN2KDM4EALDH1A1TSHRRAB9A
SCHEMBL1990110 0.71 NPC1 (0.41) SMN1; SMN2KDM4ERAB9ANPC1MAPT
SCHEMBL27096724 0.70 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL31195177 0.70 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1TSHRHTT
SCHEMBL12611799 0.69 GRM5 (0.40) SMN1; SMN2KDM4ERAB9ANPC1MAPT
SCHEMBL12615912 0.69 MAP4K4 (0.45) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL12609953 0.69 GRM5 (0.42) SMN1; SMN2KDM4EALDH1A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680333-A1 PHENYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN Boehringer Ingelheim International GmbH (DE) 2026-01-21 EP disclosed
US-20250059166-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-02-20 US disclosed
WO-2025031917-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-02-13 WO disclosed
US-20240317712-A1 PHENYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-09-26 US disclosed
WO-2024188734-A1 PHENYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-09-19 WO disclosed
US-20240246981-A1 PHENYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-07-25 US disclosed
EP-2513102-B1 ETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8933094-B2 Ethynyl compounds useful for treatment of CNS disorder HOFFMANN-LA ROCHE INC. (US) 2015-01-13 US disclosed
US-8933094-B2 Ethynyl compounds useful for treatment of CNS disorder HOFFMANN-LA ROCHE INC. (US) 2015-01-13 US disclosed
US-8933094-B2 Ethynyl compounds useful for treatment of CNS disorder HOFFMANN-LA ROCHE INC. (US) 2015-01-13 US disclosed
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER HOFFMANN-LA ROCHE INC. (US) 2014-03-13 US disclosed
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER HOFFMANN-LA ROCHE INC. (US) 2014-03-13 US disclosed
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER HOFFMANN-LA ROCHE INC. (US) 2014-03-13 US disclosed
US-8586581-B2 Ethynyl compounds useful for treatment of CNS disorders Hoffmann-La Roche Inc (US) 2013-11-19 US disclosed
US-8586581-B2 Ethynyl compounds useful for treatment of CNS disorders Hoffmann-La Roche Inc (US) 2013-11-19 US disclosed
EP-2513102-A1 ETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 US disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 US disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 US disclosed
WO-2011073172-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (5 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-20240246981-A1 PHENYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN QPCT, QPCTL, GGCT SMN1; SMN2 4507/4885KDM4E 1442/4885ALDH1A1 4031/4885
US-20250059166-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN QPCT, QPCTL, GLUL SMN1; SMN2 4484/4885KDM4E 2627/4885ALDH1A1 3857/4885
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS GRM5, GRIK5, GRM1 SMN1; SMN2 1058/4885KDM4E 1409/4885ALDH1A1 3951/4885
US-20240317712-A1 PHENYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN QPCT, QPCTL, GGCT SMN1; SMN2 4507/4885KDM4E 1442/4885ALDH1A1 4031/4885
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER GRM5, GRIK5, GRM1 SMN1; SMN2 1013/4885KDM4E 1296/4885ALDH1A1 3949/4885

“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.