SCHEMBL4100569

SCHEMBL4100569

COc1cccc2c1C(Nc1ccc3cc(Nc4nc(C)cc(C)n4)ccc3n1)CO2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EHMT2 Q96KQ7 8/20 0.39
EHMT1 Q9H9B1 7/20 0.38
GAA P10253 1/20 0.36
TERT O14746 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4115052 0.89 MAPT (0.39) DOT1LNPC1RAB9AMAPTTP53
SCHEMBL4100574 0.86 MAPT (0.37) RAB9AGAAMAPTTP53POLB
SCHEMBL4117964 0.84 SYK (0.44)
SCHEMBL4106721 0.84 KDM1A (0.37) DOT1LEHMT2EHMT1GAATERT
SCHEMBL4106847 0.83 EHMT2 (0.44) DOT1LNPC1RAB9AEHMT2EHMT1
SCHEMBL4111414 0.82 HCRTR1 (0.40) MAPTTP53POLB
SCHEMBL3410142 0.82 HTR1A (0.42) POLBKCNH2
SCHEMBL3403271 0.82 XIAP (0.35)
SCHEMBL3415182 0.78 HTR1A (0.47) NPC1RAB9AMAPTPOLB
SCHEMBL4102664 0.75 ALDH1A1 (0.45) MAPTTP53POLB

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-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US claimed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US claimed
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B DOT1L 1398/4885NPC1 2445/4885RAB9A 177/4885

“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.