SCHEMBL21824036

SCHEMBL21824036

COc1nc(NCCCO)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.44
▸ P2RX2 Q9UBL9 3/20 0.44
▸ BCL6 P41182 2/20 0.43
▸ ULK1 O75385 1/20 0.41
▸ TYRO3 Q06418 4/20 0.40
▸ FLT3 P36888 3/20 0.40
▸ MERTK Q12866 3/20 0.40
▸ GAS6 Q14393 3/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ AXL P30530 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ LRRK2 Q5S007 3/20 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
SCHEMBL15142272 0.91 ULK1 (0.42) P2RX3P2RX2BCL6ULK1TYRO3
SCHEMBL3455242 0.85 ULK1 (0.41) ULK1TYRO3FLT3MERTKGAS6
SCHEMBL21824038 0.81 BCL6 (0.42) P2RX3P2RX2BCL6TYRO3FLT3
SCHEMBL2068179 0.80 ULK1 (0.45) BCL6ULK1ADORA1ADORA2AKDR
SCHEMBL21823999 0.74 ADORA2A (0.46) P2RX3P2RX2ULK1ADORA1ADORA2A
SCHEMBL21823998 0.74 ADORA2A (0.46) P2RX3P2RX2ULK1ADORA1ADORA2A
SCHEMBL15142751 0.74 ULK1 (0.48) P2RX3P2RX2ULK1ADORA1ADORA2A
SCHEMBL20836481 0.73 ULK1 (0.47) ULK1ADORA1ADORA2AKDRLRRK2
SCHEMBL15509056 0.70 GAA (0.47) P2RX3P2RX2BCL6TYRO3FLT3
SCHEMBL16045208 0.70 KDR (0.47) BCL6ULK1ADORA1ADORA2AFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632906-B1 AZAARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FOR USE IN PHARMACY ABBISKO THERAPEUTICS CO LTD (CN) 2023-12-13 — — EP disclosed
EP-3632906-B1 AZAARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FOR USE IN PHARMACY ABBISKO THERAPEUTICS CO LTD (CN) 2023-12-13 — — EP disclosed
WO-2023125812-A1 SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2023-07-06 — — WO disclosed
US-11130762-B2 Azaaryl derivative, preparation method therefor, and application thereof for use in pharmacy ABBISKO THERAPEUTICS CO., LTD. (CN) 2021-09-28 — — US disclosed
US-11130762-B2 Azaaryl derivative, preparation method therefor, and application thereof for use in pharmacy ABBISKO THERAPEUTICS CO., LTD. (CN) 2021-09-28 — — US disclosed
US-20200165254-A1 AZAARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FOR USE IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2020-05-28 — — US disclosed
US-20200165254-A1 AZAARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FOR USE IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2020-05-28 — — US disclosed
EP-3632906-A1 AZAARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FOR USE IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2020-04-08 — — EP disclosed
EP-3632906-A1 AZAARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FOR USE IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2020-04-08 — — EP 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-20200165254-A1 AZAARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FOR USE IN PHARMACY FAR1, CSF1R, CSF3R P2RX3 2498/4885P2RX2 2902/4885BCL6 1389/4885
US-11130762-B2 Azaaryl derivative, preparation method therefor, and application thereof for use in pharmacy FAR1, CSF1R, CSF3R P2RX3 2498/4885P2RX2 2902/4885BCL6 1389/4885

“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.

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