SCHEMBL3534834

SCHEMBL3534834

Oc1ccccc1-c1ccnc(N2CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.53
SMARCA4 P51532 1/20 0.53
PBRM1 Q86U86 1/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ADRB1 P08588 1/20 0.50
ACHE P22303 3/20 0.49
HTR7 P34969 1/20 0.47
CCNT1 O60563 3/20 0.45
CCNA2 P20248 3/20 0.45
CDK2 P24941 3/20 0.45
CDK9 P50750 3/20 0.45
HTR2C P28335 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
DYRK1A Q13627 2/20 0.43
PIK3CA P42336 1/20 0.43
PLD1 Q13393 1/20 0.43

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
SCHEMBL13309353 0.84 ADRB1 (0.52) KDM4EALDH1A1ADRB1ACHEHTR7
Hydrochloric Acid SCHEMBL3273474 0.83 KDM4E (0.51) KDM4EALDH1A1ADRB1ACHEHTR7
SCHEMBL31505935 0.81 HTR7 (0.56) KDM4EALDH1A1ADRB1HTR7CCNT1
SCHEMBL3527334 0.81 ADRB1 (0.49) KDM4EALDH1A1ADRB1ACHEHTR7
SCHEMBL26985639 0.81 HTR7 (0.56) KDM4EALDH1A1ADRB1HTR7CCNT1
SCHEMBL2225874 0.81 KMT2A (0.57) KDM4EALDH1A1ADRB1ACHEHTR7
SCHEMBL12469782 0.80 FAAH (0.54) KDM4EALDH1A1ADRB1ACHEHTR7
Hydrochloric Acid SCHEMBL3272283 0.79 ALDH1A1 (0.57) KDM4EALDH1A1ADRB1ACHEHTR7
Hydrochloric Acid SCHEMBL3268535 0.79 FAAH (0.53) KDM4EALDH1A1ADRB1ACHEHTR7
SCHEMBL11113633 0.78 ADRB1 (0.61) KDM4EALDH1A1ADRB1ACHEHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858786-B2 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCOROPATED (US) 2010-12-28 US disclosed
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-26 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-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels KCNJ1, KCNJ2, KCNJ11 SMARCA2 4332/4885SMARCA4 4233/4885PBRM1 3031/4885

“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.