SCHEMBL971862

SCHEMBL971862

Brc1c2ccccc2c(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 3/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 5/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KLF5 Q13887 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
GRM5 P41594 2/20 0.41
METAP1 P53582 4/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL973168 0.85 ADORA3 (0.49) CCR1CCR5CCR8RAB9ASMN1; SMN2
SCHEMBL971029 0.85 MEN1 (0.51) SMN1; SMN2KDM4ELMNATSHRHSD17B10
SCHEMBL28190882 0.83 KDM4E (0.58) CCR1CCR5CCR8RAB9ASMN1; SMN2
SCHEMBL971520 0.82 SMN1; SMN2 (0.48) CCR1CCR5CCR8RAB9ASMN1; SMN2
SCHEMBL971571 0.82 MAPK1 (0.48) CCR1CCR5CCR8RAB9ASMN1; SMN2
SCHEMBL12579273 0.81 DHODH (0.50) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL20954073 0.81 KDM4E (0.54) CCR1CCR5CCR8RAB9ASMN1; SMN2
SCHEMBL30757485 0.81 KDM4E (0.54) CCR1CCR5CCR8RAB9ASMN1; SMN2
SCHEMBL18623354 0.80 KDM4E (0.51) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL10051241 0.80 DHODH (0.49) RAB9ASMN1; SMN2NPC1TP53PKM

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-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 US disclosed
US-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 US disclosed
EP-1582516-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-10-05 EP 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-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same L1CAM, NOTCH1, NUDC CCR1 4435/4885CCR5 4004/4885CCR8 3239/4885

“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.