SCHEMBL21187103

SCHEMBL21187103

Cc1ccnc2c1OCCN2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.40
ADRA2A P08913 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
GRM5 P41594 2/20 0.35
AKT1S1 Q96B36 3/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32

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
SCHEMBL21187215 0.81 RET (0.40) RETADRA2AADRA2CADRA1DADRA1A
SCHEMBL24409052 0.79 RET (0.40) RETMKNK1GRM5AKT1S1
SCHEMBL17230357 0.78 RET (0.39) RETMKNK1GRM5AKT1S1
SCHEMBL27200507 0.78 RET (0.36) RETMKNK1GRM5AKT1S1
SCHEMBL19932703 0.78 RET (0.41) RETMKNK1GRM5AKT1S1
SCHEMBL16077533 0.77 RET (0.35) RETMKNK1GRM5AKT1S1
SCHEMBL25477292 0.77 RET (0.38) RETMKNK1GRM5AKT1S1
SCHEMBL31661391 0.75 KDM4E (0.42) RETALDH1A1HSD17B10MKNK1
SCHEMBL16079382 0.74 RET (0.45) RETMKNK1AKT1S1
SCHEMBL20416986 0.73 UHRF1 (0.50) RETADRA2AADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 EP disclosed
WO-2023109521-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 凯复(苏州)生物医药有限公司 2023-06-22 WO disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 US disclosed
WO-2021114691-A1 NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-06-17 WO disclosed
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-15 US disclosed
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists Nimbus Saturn, Inc. (US) 2021-06-08 US disclosed
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-01 US disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
WO-2020182018-A1 NITROGEN HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-09-17 WO disclosed
WO-2019214546-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 (CN) 2019-11-14 WO disclosed
WO-2019179369-A1 RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 WO disclosed
WO-2019179362-A1 AMIDINE AND GUANIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 WO disclosed
WO-2019141095-A1 AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-07-25 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 (6 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-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 RET 2359/4885ADRA2A 3784/4885ADRA2C 4322/4885
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists HIPK1, PDXK, IP6K1 RET 2858/4885ADRA2A 1419/4885ADRA2C 1014/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 RET 2359/4885ADRA2A 3784/4885ADRA2C 4322/4885
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 RET 2858/4885ADRA2A 1419/4885ADRA2C 1014/4885
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 RET 2931/4885ADRA2A 1558/4885ADRA2C 1054/4885
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, IP6K1, PDXK RET 3378/4885ADRA2A 936/4885ADRA2C 728/4885

“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.