SCHEMBL30057783

SCHEMBL30057783

NCc1cnn(Cc2ccc(C(F)(F)F)nc2Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
LMNA P02545 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
LOX P28300 1/20 0.33
KLKB1 P03952 6/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MPO P05164 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL21503568 1.00 MAPT (0.33) MAPTLOXL2LMNAGABRA1GABRR1
Trifluoroacetic Acid SCHEMBL21491685 0.92 HSD17B10 (0.38) LOXL2L3MBTL1ALDH1A1KDM4EKLKB1
Hydrochloric Acid SCHEMBL21492863 0.84 KLKB1 (0.36) MAPTLOXL2LMNAGABRA1GABRR1
Hydrochloric Acid SCHEMBL30744383 0.84 KLKB1 (0.36) MAPTLOXL2LMNAGABRA1GABRR1
Hydrochloric Acid SCHEMBL21492657 0.81 MBOAT4 (0.42) MAPTLOXL2LMNALOXKLKB1
Hydrochloric Acid SCHEMBL30744507 0.81 MBOAT4 (0.42) MAPTLOXL2LMNALOXKLKB1
SCHEMBL30744336 0.80 SCD5 (0.35) LOXL2GABRA1GABRR1GABRA3GABRA2
SCHEMBL21503393 0.80 KLKB1 (0.35) GABRA1GABRR1GABRA3GABRA2GABRB2
SCHEMBL21492743 0.80 SCD5 (0.35) LOXL2GABRA1GABRR1GABRA3GABRA2
Hydrochloric Acid SCHEMBL21492264 0.79 SCD5 (0.34) LOXL2GABRA1GABRR1GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-11-17 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 (4 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MAPT 3935/4885LOXL2 3853/4885LMNA 753/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MAPT 3935/4885LOXL2 3853/4885LMNA 753/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MAPT 3935/4885LOXL2 3853/4885LMNA 753/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MAPT 3935/4885LOXL2 3853/4885LMNA 753/4885

“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.