SCHEMBL1783010

SCHEMBL1783010

Nc1cnc(Cl)nc1NC1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
AXL P30530 1/20 0.52
HPGDS O60760 2/20 0.43
CDK2 P24941 1/20 0.40
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 6/20 0.38
ADORA1 P30542 5/20 0.38
ADORA2A P29274 4/20 0.38
ADORA2B P29275 1/20 0.38
MEN1 O00255 1/20 0.38
PDE4A P27815 1/20 0.38
ULK1 O75385 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
SYK P43405 1/20 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
SCHEMBL12069200 0.98 KMT2A (0.68) KMT2AAXLHPGDSCDK2PDE10A
SCHEMBL19654457 0.93 KMT2A (0.55) KMT2AAXLHPGDSADORA3ADORA1
SCHEMBL21593674 0.86 KMT2A (0.49) KMT2AAXLHPGDSADORA3ADORA1
SCHEMBL12067756 0.86 MAPK1 (0.50) KMT2AAXLPDE10AADORA3
SCHEMBL1783841 0.86 KMT2A (0.49) KMT2AAXLHSD17B10MEN1
SCHEMBL21593675 0.86 KMT2A (0.49) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL21593576 0.84 KMT2A (0.48) KMT2AAXLCDK2ADORA3ADORA1
SCHEMBL1934159 0.83 KMT2A (0.69) KMT2AAXLHPGDSPDE10AKDM4E
SCHEMBL21593640 0.82 KMT2A (0.44) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL1937546 0.81 KMT2A (0.71) KMT2AAXLHPGDSPDE10AKDM4E

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
CN-117756805-A Pteridinone derivatives as RSK inhibitors and their use 华东师范大学 2024-03-26 CN disclosed
CN-117384160-A Compounds as CDK inhibitors and uses thereof 华东理工大学 2024-01-12 CN disclosed
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 US disclosed
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 US disclosed
US-20220144826-A1 Heteroaromatic and Heterobicyclic Aromatic Derivatives for the Treatment of Ferroptosis-Related Disorders COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2022-05-12 US disclosed
CN-111217815-B Compound containing pteridinone skeleton and preparation method and application thereof 沈阳药科大学 2021-06-18 CN disclosed
CN-111484495-B Preparation method and application of derivative containing dihydropteridine diketone framework 沈阳药科大学 2021-06-01 CN disclosed
WO-2020185738-A1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2020-09-17 WO disclosed
CN-111484495-A Preparation method and application of derivative containing dihydropteridine diketone framework 沈阳药科大学 2020-08-04 CN disclosed
CN-111217815-A Compound containing pteridinone skeleton and preparation method and application thereof 沈阳药科大学 2020-06-02 CN disclosed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US 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 (3 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 KMT2A 3089/4885AXL 879/4885HPGDS 3637/4885
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS GPX4, GPX1, AIFM2 KMT2A 3080/4885AXL 4570/4885HPGDS 851/4885
US-20220144826-A1 Heteroaromatic and Heterobicyclic Aromatic Derivatives for the Treatment of Ferroptosis-Related Disorders AIFM2, FECH, SLC40A1 KMT2A 2445/4885AXL 1772/4885HPGDS 380/4885

“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.