SCHEMBL29565508

SCHEMBL29565508

O=C(c1ccc[nH]1)c1cccnc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
EGFR P00533 4/20 0.43
GFER P55789 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CCND3 P30281 1/20 0.40
CDK6 Q00534 1/20 0.40

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
SCHEMBL5534265 1.00 SMN1; SMN2 (0.54) SMN1; SMN2LMNAEGFRGFERPOLB
SCHEMBL950218 0.80 LMNA (0.73) SMN1; SMN2LMNAEGFRGFERPOLB
SCHEMBL9876387 0.78 PARP1 (0.55) SMN1; SMN2LMNAEGFRKDM4EMAPT
SCHEMBL5536914 0.77 L3MBTL1 (0.46) SMN1; SMN2LMNAPOLBL3MBTL1CYP1A2
SCHEMBL9206405 0.77 KDM4E (0.61) SMN1; SMN2LMNAL3MBTL1KDM4EMAPT
SCHEMBL5539360 0.76 SMN1; SMN2 (0.62) SMN1; SMN2LMNAEGFRGFERPOLB
SCHEMBL3709112 0.76 SMN1; SMN2 (0.67) SMN1; SMN2LMNAEGFRGFERPOLB
SCHEMBL9772541 0.76 KMT2A (0.54) SMN1; SMN2LMNAPOLBL3MBTL1CYP1A2
SCHEMBL14570482 0.76 RAB9A (0.43) SMN1; SMN2LMNAPOLBL3MBTL1CYP1A2
SCHEMBL2162312 0.75 SMN1; SMN2 (0.59) SMN1; SMN2LMNAEGFRGFERL3MBTL1

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
CN-110869369-B Five-membered and six-membered nitrogen heteroaromatic ring compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2022-06-28 CN disclosed
US-11292787-B2 Five-membered-fused-six-membered aza-aromatic ring compound, preparation method thereof, pharmaceutical composition and application thereof XIAMEN UNIVERSITY (CN) 2022-04-05 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 (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-11292787-B2 Five-membered-fused-six-membered aza-aromatic ring compound, preparation method thereof, pharmaceutical composition and application thereof KRAS, NRAS, RASSF5 SMN1; SMN2 4144/4885LMNA 4198/4885EGFR 641/4885

“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.