SCHEMBL8259774

SCHEMBL8259774

O=C1Nc2ccc(F)cc2C(CC2CC2)(c2ccccc2)N1CC(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
AKR1B1 P15121 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32
GRIN2B Q13224 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MEN1 O00255 2/20 0.32
SNRNP200 O75643 1/20 0.32
NR1I2 O75469 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PER2 O15055 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL2471544 0.87 MAPT (0.33) KMT2ACYP1A2MAPTCYP2C19AKR1B1
SCHEMBL2468680 0.84 AKR1B1 (0.38) KMT2ACYP1A2MAPTCYP2C19AKR1B1
SCHEMBL2467315 0.81 HSD11B1 (0.37) KMT2ACYP1A2MAPTCYP2C19AKR1B1
SCHEMBL2470934 0.81 EGFR (0.40) AKR1B1RAB9ASNRNP200HTTSMN1; SMN2
SCHEMBL2473019 0.81 KMT2A (0.35) KMT2ACYP1A2MAPTCYP2C19AKR1B1
SCHEMBL2469521 0.80 EGFR (0.37) CYP1A2MAPTCYP2C19AKR1B1RAB9A
SCHEMBL2470884 0.80 AKR1B1 (0.35) KMT2ACYP1A2MAPTCYP2C19AKR1B1
SCHEMBL2472584 0.80 MEN1 (0.35) KMT2AAKR1B1RAB9AMEN1HTT
SCHEMBL2470656 0.80 MMP2 (0.37) KMT2AAKR1B1RAB9AMEN1HTT
SCHEMBL2467601 0.79 KMT2A (0.34) KMT2AMEN1SNRNP200HTTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858520-B1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US disclosed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US disclosed
US-7745452-B2 Quinazolinone T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-7745452-B2 Quinazolinone T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
WO-2006098969-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2006-09-21 WO 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-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H KMT2A 3946/4885CYP1A2 2152/4885MAPT 1028/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H KMT2A 3946/4885CYP1A2 2152/4885MAPT 1028/4885

“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.