SCHEMBL24251808

SCHEMBL24251808

COc1nc(Br)ccc1NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
IAPP P10997 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
UCHL3 P15374 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 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
SCHEMBL29756270 1.00 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2MAPTMAPK1
SCHEMBL15544886 0.87 MAPT (0.44) ALDH1A1TSHRCYP1A2MAPTMAPK1
SCHEMBL29618075 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2MAPTMAPK1
SCHEMBL18979088 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2MAPTMAPK1
SCHEMBL28973026 0.79 CA1 (0.38) ALDH1A1TSHRCYP1A2MAPTCA1
SCHEMBL27075271 0.79 ALDH1A1 (0.43) ALDH1A1TSHRCYP1A2MAPTCA1
SCHEMBL29389622 0.78 IAPP (0.42) ALDH1A1TSHRCYP1A2MAPTCA1
SCHEMBL24251812 0.78 IAPP (0.42) ALDH1A1TSHRCYP1A2MAPTCA1
SCHEMBL20449070 0.77 CA1 (0.46) ALDH1A1TSHRMAPTCA1CA2
SCHEMBL2414594 0.77 POLB (0.51) ALDH1A1TSHRCYP1A2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 US disclosed
EP-4382511-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 EP disclosed
US-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-04-04 US disclosed
CN-117440945-A Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-01-23 CN disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 EP disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 EP disclosed
CN-115867539-A 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-28 CN disclosed
CN-115836064-A Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-21 CN disclosed
WO-2023011505-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
WO-2023011505-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
CN-110642838-B EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2022-08-09 CN disclosed
CN-110642836-B EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2022-08-09 CN disclosed
WO-2022116995-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-06-09 WO disclosed
WO-2022116995-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-06-09 WO disclosed
WO-2022033455-A1 TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 WO disclosed
WO-2022033455-A1 TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 WO disclosed
CN-110642836-A EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2020-01-03 CN disclosed
CN-110642838-A EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2020-01-03 CN 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 (2 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-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, WEE2, EGFR ALDH1A1 1961/4885TSHR 4382/4885CYP1A2 2300/4885
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR ALDH1A1 1967/4885TSHR 4269/4885CYP1A2 1252/4885

“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.