Sugi Predict

Sugi Predict / Compounds / SCHEMBL1624442

SCHEMBL1624442

SCHEMBL1624442

Cc1ccc2c(N3CCC(NC(=O)c4cccc(N(C)C)c4)C3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 5/20 0.49
▸ MCHR1 Q99705 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ADRA2A P08913 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMAD3 P84022 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1624439 1.00 CHEK2 (0.49) CHEK2MCHR1KDM4ENPC1RAB9A
SCHEMBL1622674 0.89 CHEK2 (0.47) CHEK2MCHR1ADRA2AMEN1KMT2A
SCHEMBL1622668 0.89 CHEK2 (0.47) CHEK2MCHR1ADRA2AMEN1KMT2A
SCHEMBL1623130 0.88 MCHR1 (0.47) CHEK2MCHR1SMN1; SMN2CCNE1CDK2
SCHEMBL1623127 0.88 MCHR1 (0.47) CHEK2MCHR1SMN1; SMN2CCNE1CDK2
SCHEMBL1623915 0.87 CHEK2 (0.45) CHEK2MCHR1ADRA2AMEN1KMT2A
SCHEMBL1624218 0.87 CHEK2 (0.47) CHEK2MCHR1ADRA2AMEN1KMT2A
SCHEMBL1624220 0.87 CHEK2 (0.47) CHEK2MCHR1ADRA2AMEN1KMT2A
SCHEMBL1623912 0.87 CHEK2 (0.45) CHEK2MCHR1ADRA2AMEN1KMT2A
SCHEMBL1622826 0.86 CHEK2 (0.49) CHEK2KDM4EHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 — — US disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 — — US disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 — — US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 — — EP disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 — — US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 — — 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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885MCHR1 4109/4885KDM4E 2570/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885MCHR1 4109/4885KDM4E 2570/4885

“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.