SCHEMBL520977

SCHEMBL520977

COc1cc2c(cc1N)CN(C)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
MAOA P21397 2/20 0.56
SLC6A4 P31645 1/20 0.56
S100B P04271 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
CYP3A4 P08684 4/20 0.41
MAPT P10636 2/20 0.41
CA7 P43166 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CHRNA7 P36544 2/20 0.40
PKM P14618 1/20 0.39
PDE4D Q08499 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL31378016 1.00 MAOB (0.56) MAOBMAOASLC6A4S100BPOLB
SCHEMBL2207810 0.88 MAOB (0.77) MAOBMAOASLC6A4CA7CHRNA7
SCHEMBL20939758 0.88 MAOB (0.77) MAOBMAOASLC6A4CA7CHRNA7
Hydrochloric Acid SCHEMBL29651279 0.86 MAOB (0.75) MAOBMAOASLC6A4CA7CHRNA7
SCHEMBL9424882 0.85 MAOB (0.73) MAOBMAOASLC6A4GAACYP3A4
SCHEMBL20232219 0.85 MAOB (0.63) MAOBMAOASLC6A4CA7CHRNA7
SCHEMBL20214396 0.85 MAOB (0.63) MAOBMAOASLC6A4CA7CHRNA7
Hydrochloric Acid SCHEMBL9871695 0.83 MAOA (0.70) MAOBMAOASLC6A4GAACYP3A4
Iodide SCHEMBL9425089 0.83 MAOB (0.70) MAOBMAOASLC6A4GAACYP3A4
SCHEMBL2571297 0.82 MAOB (0.65) MAOBMAOASLC6A4S100BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
EP-3994133-A1 HPK1 INHIBITORS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2022-05-11 EP disclosed
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2021-11-23 US disclosed
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2021-11-23 US disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 WO disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 WO disclosed
EP-3548479-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD Pharmaceuticals, Inc. (US) 2019-10-09 EP disclosed
WO-2018102366-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-07 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 MAOB 2431/4885MAOA 1599/4885SLC6A4 2884/4885
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 MAOB 4431/4885MAOA 4363/4885SLC6A4 4101/4885
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors STK16, STK4, STK26 MAOB 4422/4885MAOA 4658/4885SLC6A4 3796/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 MAOB 2902/4885MAOA 4083/4885SLC6A4 1699/4885

“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.