SCHEMBL5457932

SCHEMBL5457932

CN(CCn1c(N)nc2ccccc21)Cc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ POLB P06746 1/20 0.53
▸ CXCR4 P61073 1/20 0.52
▸ TLR8 Q9NR97 3/20 0.51
▸ GALR3 O60755 1/20 0.49
▸ NR2F2 P24468 1/20 0.49
▸ HTT P42858 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ TNF P01375 1/20 0.47
▸ CXCL8 P10145 1/20 0.47
▸ SOS1 Q07889 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TP53 P04637 1/20 0.42

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
SCHEMBL5465812 0.90 POLB (0.58) KMT2APOLBCXCR4TLR8HTT
SCHEMBL5454198 0.86 SMPD1 (0.56) KMT2APOLBCXCR4TLR8HTT
SCHEMBL5462900 0.85 POLB (0.50) KMT2APOLBCXCR4TLR8HTT
SCHEMBL30581402 0.82 KMT2A (0.67) KMT2APOLBCXCR4TLR8GALR3
SCHEMBL6930946 0.79 POLB (0.69) KMT2APOLBCXCR4TLR8HTT
Hydrochloric Acid SCHEMBL6934113 0.77 POLB (0.67) KMT2APOLBCXCR4TLR8HTT
SCHEMBL5460813 0.77 CXCR4 (0.60) KMT2APOLBCXCR4TLR8HTT
SCHEMBL14447546 0.76 CXCR4 (0.73) KMT2APOLBCXCR4TLR8HTT
SCHEMBL1982004 0.73 CXCR4 (0.73) KMT2APOLBCXCR4TLR8HTT
SCHEMBL8562225 0.73 POLB (0.69) KMT2APOLBCXCR4TLR8HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 KMT2A 1857/4885POLB 2088/4885CXCR4 3445/4885

“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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