SCHEMBL5137752

SCHEMBL5137752

Nc1ncnc2ccc(N3CCCCC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 1.00
IP6K1 Q92551 3/20 0.97
IP6K3 Q96PC2 1/20 0.51
PRKDC P78527 2/20 0.50
MAPT P10636 3/20 0.47
S100B P04271 2/20 0.46
TERT O14746 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DGAT1 O75907 1/20 0.44

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
SCHEMBL14487035 0.98 IP6K1 (1.00) MAP4K4IP6K1IP6K3PRKDCMAPT
SCHEMBL12733339 0.88 MAP4K4 (0.78) MAP4K4IP6K1PRKDCMAPTS100B
SCHEMBL10968370 0.85 IP6K1 (0.76) MAP4K4IP6K1MAPTMEN1ALDH1A1
SCHEMBL30775562 0.85 IP6K1 (0.76) MAP4K4IP6K1MAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL30575860 0.84 IP6K1 (0.74) MAP4K4IP6K1MAPTMEN1ALDH1A1
SCHEMBL30478684 0.82 IP6K1 (0.71) MAP4K4IP6K1IP6K3PRKDC
SCHEMBL8871494 0.81 MAP4K4 (0.68) MAP4K4IP6K1IP6K3PRKDCMAPT
SCHEMBL8976481 0.79 IP6K1 (0.68) MAP4K4IP6K1IP6K3PRKDCMAPT
SCHEMBL30210340 0.78 MAP4K4 (0.64) MAP4K4IP6K1IP6K3PRKDCMAPT
SCHEMBL14536922 0.77 IP6K1 (0.63) MAP4K4IP6K1IP6K3ALDH1A1

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-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor FRIZER INC. 2008-08-14 US disclosed
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer PFIZER INC 2005-05-12 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 (3 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-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer ERBB2, ERBB3, EGFR MAP4K4 138/4885IP6K1 1444/4885IP6K3 1378/4885
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL MAP4K4 700/4885IP6K1 2927/4885IP6K3 2210/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR MAP4K4 164/4885IP6K1 1375/4885IP6K3 1520/4885

“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.