SCHEMBL27170997

SCHEMBL27170997

CC(=O)c1cccc2cnn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HAO1 Q9UJM8 2/20 0.37
PARP1 P09874 1/20 0.36
NAMPT P43490 2/20 0.36
CREBBP Q92793 1/20 0.36
SLC16A3 O15427 2/20 0.36
SLC16A1 P53985 2/20 0.36
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 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
SCHEMBL29520867 0.86 DHODH (0.46) HAO1SLC16A3SLC16A1HPGDKDM4E
SCHEMBL2585360 0.86 DHODH (0.46) HAO1SLC16A3SLC16A1HPGDKDM4E
Hydrochloric Acid SCHEMBL6809142 0.85 DHODH (0.44) HAO1SLC16A3SLC16A1HPGDKDM4E
SCHEMBL29520631 0.85 PARP1 (0.49) PARP1KDM4EALDH1A1GAALMNA
SCHEMBL18937275 0.82 KMT2A (0.39) MEN1KMT2AHAO1PARP1NAMPT
SCHEMBL2594960 0.82 CYP1A2 (0.47) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL20812507 0.79 MAPT (0.43) MEN1KMT2ANAMPTSLC16A3SLC16A1
SCHEMBL27123216 0.77 MAPK1 (0.36) MAPK1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL2272282 0.74 KDM4E (0.42) HAO1NAMPTCREBBPHPGDKDM4E
SCHEMBL18131531 0.73 TP53 (0.40) MAPK1KMT2ASLC16A3SLC16A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 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 (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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 MAPK1 161/4885MEN1 403/4885KMT2A 834/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 MAPK1 161/4885MEN1 403/4885KMT2A 834/4885

“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.