SCHEMBL21823998

SCHEMBL21823998

COc1nc(N[C@H](C)CCO)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ ULK1 O75385 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ P2RX3 P56373 3/20 0.37
▸ P2RX2 Q9UBL9 3/20 0.37
▸ LRRK2 Q5S007 5/20 0.36
▸ CDK1 P06493 8/20 0.35
▸ KDR P35968 8/20 0.35
▸ CDK2 P24941 7/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CDK4 P11802 2/20 0.35
▸ CDK7 P50613 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ CCNB1 P14635 4/20 0.35
▸ CCNE1 P24864 4/20 0.35

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
SCHEMBL21823999 1.00 ADORA2A (0.46) ADORA2AADORA1ULK1TRPM8P2RX3
SCHEMBL21824015 0.82 TRPM8 (0.40) ADORA2AADORA1TRPM8P2RX3P2RX2
SCHEMBL21824012 0.82 TRPM8 (0.40) ADORA2AADORA1TRPM8P2RX3P2RX2
SCHEMBL16045208 0.81 KDR (0.47) ADORA2AADORA1ULK1LRRK2CDK1
SCHEMBL15142272 0.77 ULK1 (0.42) ADORA2AADORA1ULK1P2RX3P2RX2
SCHEMBL21824036 0.74 P2RX3 (0.44) ADORA2AADORA1ULK1P2RX3P2RX2
SCHEMBL15142751 0.72 ULK1 (0.48) ADORA2AADORA1ULK1P2RX3P2RX2
SCHEMBL21872982 0.71 ADORA2A (0.31) ADORA2AADORA1TRPM8
SCHEMBL2068179 0.71 ULK1 (0.45) ADORA2AADORA1ULK1LRRK2CDK1
SCHEMBL20836481 0.71 ULK1 (0.47) ADORA2AADORA1ULK1LRRK2CDK1

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 8 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
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 ADORA2A 1489/4885ADORA1 895/4885ULK1 3997/4885
US-11130762-B2 Azaaryl derivative, preparation method therefor, and application thereof for use in pharmacy FAR1, CSF1R, CSF3R ADORA2A 1489/4885ADORA1 895/4885ULK1 3997/4885

“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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