SCHEMBL17065282

SCHEMBL17065282

O=C(O)c1ccc(-n2cccn2)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
PTGER1 P34995 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
DAO P14920 5/20 0.40
RORC P51449 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.37
LIG1 P18858 1/20 0.37

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
SCHEMBL11131345 0.84 LMNA (0.38) LMNAHPGDPOLBRAB9AALDH1A1
SCHEMBL11133927 0.79 STING1 (0.40)
SCHEMBL9807575 0.77 LMNA (0.40) LMNAKDM4EHPGDRAB9AALDH1A1
SCHEMBL1948464 0.77 KDM4E (0.46) KDM4EHPGDPOLBRAB9AALDH1A1
SCHEMBL25382116 0.74 LMNA (0.37) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL10645494 0.74 ALDH1A1 (0.50) LMNAKDM4EHPGDMEN1KMT2A
SCHEMBL4204419 0.73 POLB (0.40) LMNAKDM4EMEN1KMT2APOLB
SCHEMBL4463189 0.73 ADORA2A (0.41) LMNAKDM4EMEN1KMT2ARAB9A
SCHEMBL18331573 0.73 NOTUM (0.40) LMNAKDM4EMEN1KMT2ARAB9A
SCHEMBL11185171 0.73 NOTUM (0.40) LMNAKDM4EMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752615-B2 Spirocyclic containing compounds and pharmaceutical uses thereof GB005, INC. (US) 2020-08-25 US disclosed
US-20190263790-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF GB005, INC. 2019-08-29 US disclosed
US-9932329-B2 Benzimidazole derivatives as RLK and ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2018-04-03 US disclosed
US-9932329-B2 Benzimidazole derivatives as RLK and ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2018-04-03 US disclosed
US-9932329-B2 Benzimidazole derivatives as RLK and ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2018-04-03 US disclosed
WO-2018032104-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF PHARMASCIENCE INC. (CA) 2018-02-22 WO disclosed
EP-3114124-A1 BENZIMIDAZOLE DERIVATIVES AS RLK and ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2017-01-11 EP disclosed
US-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. 2016-12-22 US disclosed
US-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. 2016-12-22 US disclosed
US-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. 2016-12-22 US disclosed
WO-2015134210-A1 BENZIMIDAZOLE DERIVATIVES AS RLK and ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2015-09-11 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 (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-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS ITK, BLK, LMTK2 LMNA 1240/4885PTGER1 2759/4885KDM4E 2697/4885
US-10752615-B2 Spirocyclic containing compounds and pharmaceutical uses thereof TEC, ITK, TXK LMNA 3282/4885PTGER1 972/4885KDM4E 3749/4885
US-20190263790-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF TEC, ITK, TXK LMNA 3282/4885PTGER1 972/4885KDM4E 3749/4885

“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.