SCHEMBL18038790

SCHEMBL18038790

Nc1nnc(Cl)cc1C1=CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 10/20 0.36
▸ PSMB1 P20618 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.33
▸ TYMP P19971 1/20 0.33
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ GRM2 Q14416 1/20 0.31

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
SCHEMBL29001140 0.95 TDP1 (0.34) PSMB5PSMB1TDP1TYMPCCNE1
SCHEMBL18081247 0.76 PSMB5 (0.37) PSMB5PSMB1TDP1TYMP
Hydrochloric Acid SCHEMBL23037296 0.74 HTR2C (0.46) —
Hydrochloric Acid SCHEMBL19991684 0.74 HTR2C (0.46) —
SCHEMBL18038786 0.72 PBRM1 (0.57) —
SCHEMBL18038850 0.72 NR1I2 (0.33) TDP1GRM2
SCHEMBL30994466 0.70 TDP1 (0.33) TDP1
SCHEMBL22632556 0.68 SMN1; SMN2 (0.44) TDP1
SCHEMBL29001156 0.68 TDP1 (0.32) TDP1
SCHEMBL29064919 0.67 HSP90AB1 (0.45) PSMB5PSMB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 — — EP disclosed
CN-116134029-A Oxo-nitrogen ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-05-16 — — CN disclosed
WO-2022121914-A1 OXO-NITROGEN RING DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-06-16 — — WO disclosed
CN-107531668-B Therapeutic pyridazine compounds and uses thereof 基因泰克公司 2021-10-29 — — CN disclosed
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 — — US disclosed
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 — — US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
EP-3262036-A1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2018-01-03 — — EP disclosed
WO-2016138114-A1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-09-01 — — 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 (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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 PSMB5 867/4885PSMB1 1283/4885TDP1 1227/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 PSMB5 867/4885PSMB1 1283/4885TDP1 1227/4885

“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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