SCHEMBL25820968

SCHEMBL25820968

Clc1ncc(Cl)c(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GLA P06280 1/20 0.55
BTK Q06187 1/20 0.48
RPS6KA5 O75582 2/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ADORA1 P30542 3/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL30444276 1.00 KDM4E (0.55) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL27177141 0.87 BTK (0.52) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL30919617 0.87 BTK (0.52) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL29967741 0.87 BTK (0.52) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL27264433 0.84 BTK (0.44) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL30919619 0.84 BTK (0.44) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL30919628 0.83 KDM4E (0.42) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL30919680 0.83 BTK (0.46) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL27263103 0.83 BTK (0.46) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL30919867 0.82 ALDH1A1 (0.43) KDM4EALDH1A1HPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148210-A1 CYCLIN-DEPENDENT KINASE 12 MODULATORS AND THERAPEUTIC USES THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-07-11 WO disclosed
CN-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 CN disclosed
US-20230219930-A1 NOVEL PYRIMIDINE DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES AND CANCER, COMPRISING SAME WHAN IN PHARMACEUTICAL CO., LTD. (KR) 2023-07-13 US disclosed
US-20230219930-A1 NOVEL PYRIMIDINE DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES AND CANCER, COMPRISING SAME WHAN IN PHARMACEUTICAL CO., LTD. (KR) 2023-07-13 US disclosed
CN-101309918-B [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases LILLY CO ELI 2010-12-29 CN disclosed
CN-101309918-A [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases LILLY CO ELI (US) 2008-11-19 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 (1 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-20230219930-A1 NOVEL PYRIMIDINE DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES AND CANCER, COMPRISING SAME LRRK2, PARK7, SLC29A2 KDM4E 2783/4885ALDH1A1 2108/4885HPGD 1655/4885

“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.