SCHEMBL6482907

SCHEMBL6482907

[c]1c(-c2ccc3ccccc3n2)nc2ccccc2c1-c1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP4 Q13115 1/20 0.43
PTP4A1 Q93096 1/20 0.43
METAP2 P50579 1/20 0.41
CYP3A4 P08684 7/20 0.40
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
AR P10275 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
CASP1 P29466 1/20 0.37
TGFBR1 P36897 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL31418349 0.77 RAB9A (0.55) DUSP4PTP4A1METAP2CYP3A4RAB9A
SCHEMBL2345329 0.71 MAPT (0.49) CYP3A4ARCYP1A2CYP2D6CYP2C9
SCHEMBL6490955 0.70 DUSP4 (0.42) DUSP4PTP4A1METAP2CYP3A4RAB9A
SCHEMBL17048132 0.68 METAP2 (0.41) DUSP4PTP4A1METAP2CYP3A4RAB9A
SCHEMBL29660606 0.68 METAP2 (0.54) METAP2CYP3A4RAB9ANPC1CYP1A2
SCHEMBL14734857 0.68 METAP2 (0.50) METAP2CYP3A4CYP2C9KDM4EKMT2A
SCHEMBL321962 0.68 METAP2 (0.54) METAP2CYP3A4RAB9ANPC1CYP1A2
SCHEMBL8102439 0.67 RAB9A (0.49) CYP3A4RAB9ANPC1ARCYP1A2
Quinoline SCHEMBL9745228 0.66 ALDH1A1 (0.65) DUSP4PTP4A1METAP2CYP3A4RAB9A
Quinoline SCHEMBL29030603 0.64 ALDH1A1 (0.57) DUSP4PTP4A1METAP2CYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107378-A1 Heterocyclic amines having central nervous system activity ROMERO ARTHUR G (US) 2005-05-19 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-20050107378-A1 Heterocyclic amines having central nervous system activity CNR1, CNR2, NPY2R DUSP4 4579/4885PTP4A1 4410/4885METAP2 3844/4885

“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.