SCHEMBL1084701

SCHEMBL1084701

CCN(c1nc(-c2ccccc2O)nc2cc(C)ccc12)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 3/20 0.49
LATS2 Q9NRM7 3/20 0.49
KMT2A Q03164 7/20 0.43
MAPT P10636 8/20 0.41
MEN1 O00255 5/20 0.41
TSHR P16473 4/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
CHEK2 O96017 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.36

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
SCHEMBL1084092 0.87 KMT2A (0.44) LATS1LATS2KMT2AMAPTMEN1
SCHEMBL27752678 0.86 KMT2A (0.39) LATS1LATS2KMT2AMAPTMEN1
SCHEMBL1084854 0.85 KMT2A (0.41) LATS1LATS2KMT2AMAPTMEN1
SCHEMBL1084174 0.83 MAPT (0.44) KMT2AMAPTMEN1TSHRHPGD
SCHEMBL1084717 0.82 MAPT (0.44) KMT2AMAPTMEN1TSHRHPGD
SCHEMBL1084260 0.82 CYP2D6 (0.55) KMT2AMAPTMEN1TSHRHPGD
SCHEMBL1084730 0.81 LMNA (0.46) KMT2AMAPTMEN1TSHRHPGD
SCHEMBL1084227 0.81 LATS1 (0.47) LATS1LATS2KMT2AMAPTMEN1
SCHEMBL1084801 0.80 LMNA (0.58) KMT2AMAPTMEN1TSHRHPGD
SCHEMBL1084624 0.79 MAPT (0.46) KMT2AMAPTMEN1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 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-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, KCNN2, CACNA1I LATS1 2915/4885LATS2 2720/4885KMT2A 2608/4885

“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.