SCHEMBL14832809

SCHEMBL14832809

COc1ccc(N/N=C/c2ccncc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
GAA P10253 8/20 0.67
NPC1 O15118 7/20 0.67
ROCK2 O75116 1/20 0.60
KMT2A Q03164 2/20 0.56
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
HPGD P15428 2/20 0.54
CYP3A4 P08684 1/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 2/20 0.53
GSK3B P49841 1/20 0.51
LMNA P02545 1/20 0.49

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
SCHEMBL11231477 1.00 RAB9A (0.67) RAB9AGAANPC1ROCK2KMT2A
SCHEMBL16566653 0.88 CYP1A2 (0.57) RAB9AGAANPC1KMT2AMAPT
SCHEMBL30389995 0.83 NOX1 (0.67) RAB9AGAANPC1KMT2AMAPT
SCHEMBL21626767 0.83 CYP1A2 (0.53) RAB9AGAANPC1KMT2AMAPT
SCHEMBL9099590 0.82 NPC1 (0.47) RAB9AGAANPC1ROCK2KMT2A
SCHEMBL9099581 0.82 NPC1 (0.47) RAB9AGAANPC1ROCK2KMT2A
SCHEMBL14832820 0.81 RAB9A (0.97) RAB9AGAANPC1KMT2AMAPT
SCHEMBL11124641 0.81 RAB9A (0.97) RAB9AGAANPC1KMT2AMAPT
SCHEMBL13875563 0.81 MAPT (0.63) RAB9AGAANPC1KMT2AMAPT
SCHEMBL13875562 0.80 GAA (0.69) RAB9AGAANPC1KMT2AMAPT

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-9416123-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2016-08-16 US disclosed
US-9416123-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2016-08-16 US disclosed
US-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2014-11-13 US disclosed
US-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2014-11-13 US disclosed
WO-2014090364-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2014-06-19 WO disclosed
WO-2013046041-A1 PYRIDINYLPYRAZOLES FOR USE AS KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-04-04 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 (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-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER DCK, MAP3K2, MAP3K19 RAB9A 1467/4885GAA 2526/4885NPC1 3786/4885

“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.