SCHEMBL3600310

SCHEMBL3600310

Nc1nc(-c2ccccc2)nc2[nH]nc(Nc3ccc(Br)cc3)c12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.52
CYP1A1 P04798 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP1B1 Q16678 2/20 0.43
DGAT1 O75907 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ABCB1 P08183 1/20 0.38
PDE5A O76074 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL3602136 0.91 ABCG2 (0.47) ABCG2MAPTMEN1KMT2APDE5A
SCHEMBL3409105 0.88 ABCG2 (0.52) ABCG2NR1H2NR1H3MAPTMEN1
SCHEMBL3413002 0.88 ABCG2 (0.54) ABCG2CYP1A2MAPTMEN1KMT2A
SCHEMBL3415833 0.88 MAPT (0.52) ABCG2CYP1A1CYP1A2CYP1B1NR1H2
SCHEMBL14861915 0.85 ABCG2 (0.56) ABCG2MEN1KMT2ARAB9A
SCHEMBL19719713 0.83 ABCG2 (0.46) ABCG2MAPTMEN1KMT2ALMNA
SCHEMBL16139155 0.82 MAPT (0.47) ABCG2CYP1A1CYP1A2CYP1B1NR1H2
SCHEMBL14861582 0.82 LMNA (0.48) ABCG2MAPTLMNA
SCHEMBL29648256 0.82 LMNA (0.48) ABCG2MAPTLMNA
SCHEMBL19453194 0.81 ABL1 (0.46) ABCG2MAPTMEN1KMT2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962634-B2 4-amino-3-arylamino-6-arylpyrazolo[3,4-d) pyrimidine derivatives, methods for their preparation and their use as antiviral agents DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2015-02-24 US claimed
US-8962634-B2 4-amino-3-arylamino-6-arylpyrazolo[3,4-d) pyrimidine derivatives, methods for their preparation and their use as antiviral agents DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2015-02-24 US disclosed
US-20100010018-A1 4-Amino-3-Arylamino-6-Arylpyrazolo[3,4-D) Pyrimidine Derivatives, Methods for their Preparation and their Use as Antiviral Agents DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2010-01-14 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-20100010018-A1 4-Amino-3-Arylamino-6-Arylpyrazolo[3,4-D) Pyrimidine Derivatives, Methods for their Preparation and their Use as Antiviral Agents PNP, TYMP, EIF2AK2 ABCG2 136/4885CYP1A1 837/4885CYP1A2 386/4885

“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.