SCHEMBL13156612

SCHEMBL13156612

Nc1cc2nc3cc4nc5cc6nc7cc(N)c(N)cc7nc6cc5nc4cc3nc2cc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MAPT P10636 5/20 0.68
MEN1 O00255 4/20 0.68
POLB P06746 3/20 0.68
NPC1 O15118 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
USP2 O75604 1/20 0.68
CACNA1B Q00975 1/20 0.68
APBA1 Q02410 1/20 0.68
NQO1 P15559 1/20 0.59
TERT O14746 1/20 0.48
PTK2 Q05397 1/20 0.47
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
APEX1 P27695 1/20 0.40
ACHE P22303 3/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL29428970 0.96 KMT2A (0.72) KMT2AMAPTMEN1POLBNPC1
SCHEMBL837057 0.96 KMT2A (0.72) KMT2AMAPTMEN1POLBNPC1
Hydrochloric Acid SCHEMBL31429077 0.93 KMT2A (0.68) KMT2AMAPTMEN1POLBNPC1
Hydrochloric Acid SCHEMBL31429084 0.93 KMT2A (0.68) KMT2AMAPTMEN1POLBNPC1
Hydrochloric Acid SCHEMBL29276833 0.93 KMT2A (0.68) KMT2AMAPTMEN1POLBNPC1
SCHEMBL29351539 0.82 MAPT (1.00) KMT2AMAPTMEN1POLBNPC1
SCHEMBL188079 0.82 MAPT (1.00) KMT2AMAPTMEN1POLBNPC1
Ammonia Solution, Strong SCHEMBL18919853 0.80 MAPT (0.95) KMT2AMAPTMEN1POLBNPC1
SCHEMBL28866712 0.80 MAPT (0.95) KMT2AMAPTMEN1POLBNPC1
Hydrochloric Acid SCHEMBL27822095 0.80 MAPT (0.95) KMT2AMAPTMEN1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7800103-B2 Organic thin film transistor material, organic thin film transistor, field-effect transistor, switching element, organic semiconductor material and organic semiconductor film KONICA MINOLTA HOLDINGS, INC. (JP) 2010-09-21 US disclosed
US-7800103-B2 Organic thin film transistor material, organic thin film transistor, field-effect transistor, switching element, organic semiconductor material and organic semiconductor film KONICA MINOLTA HOLDINGS, INC. (JP) 2010-09-21 US disclosed
US-20080121873-A1 Organic Thin Film Transistor Material, Organic Thin Film Transistor, Field-Effect Transistor, Switching Element, Organic Semiconductor Material and Organic Semiconductor Film KONICA MINOLTA HOLDINGS, INC. (JP) 2008-05-29 US disclosed
US-20080121873-A1 Organic Thin Film Transistor Material, Organic Thin Film Transistor, Field-Effect Transistor, Switching Element, Organic Semiconductor Material and Organic Semiconductor Film KONICA MINOLTA HOLDINGS, INC. (JP) 2008-05-29 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-20080121873-A1 Organic Thin Film Transistor Material, Organic Thin Film Transistor, Field-Effect Transistor, Switching Element, Organic Semiconductor Material and Organic Semiconductor Film TERT, TELO2, RCOR1 KMT2A 1347/4885MAPT 433/4885MEN1 1393/4885

“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.