SCHEMBL843162

SCHEMBL843162

Nc1nc2cnc3cc(Br)ccc3c2n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TLR7 Q9NYK1 5/20 0.40
▸ PTGES O14684 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ TLR8 Q9NR97 4/20 0.39
▸ TNF P01375 1/20 0.39
▸ CXCL8 P10145 1/20 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
SCHEMBL841313 0.81 TLR7 (0.57) TLR7TLR8
SCHEMBL14466814 0.74 PIK3CA (0.43) TLR7CYP2C9PIK3CDPIK3CAMTOR
SCHEMBL29280825 0.71 PIK3R1 (0.42) ALDH1A1KMT2AKDM4EMAPTTLR7
SCHEMBL19475350 0.71 TLR7 (0.46) KMT2ALMNAMAPTTLR7CYP1A2
SCHEMBL8128243 0.69 TNF (0.42) ALDH1A1POLBHTTKMT2AKDM4E
SCHEMBL9602708 0.69 TLR7 (0.61) ALDH1A1KMT2AKDM4ELMNATLR7
SCHEMBL213111 0.69 TLR7 (0.45) ALDH1A1POLBKMT2AKDM4ELMNA
SCHEMBL13968055 0.69 TLR7 (0.55) TLR7TLR8
SCHEMBL787541 0.69 TLR7 (0.45) ALDH1A1POLBKDM4ELMNATLR7
Water SCHEMBL9603053 0.68 TLR7 (0.60) ALDH1A1KMT2AKDM4ELMNATLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 — — US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 — — EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 — — US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 — — EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 — — WO 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 ALDH1A1 1223/4885POLB 3413/4885HTT 3864/4885

“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.

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