SCHEMBL21809375

SCHEMBL21809375

OB(O)Oc1cnc2c(ccc3cccnc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.53
CCR8 P51685 5/20 0.53
CCR5 P51681 3/20 0.53
LMNA P02545 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
HSP90AA1 P07900 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50

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
Phenanthroline SCHEMBL28888638 0.82 LMNA (0.55) CCR1CCR8CCR5LMNAMAPT
SCHEMBL30492598 0.79 CCR1 (0.62) CCR1CCR8CCR5LMNAMAPT
SCHEMBL6356302 0.79 CCR1 (0.62) CCR1CCR8CCR5LMNAMAPT
SCHEMBL13684774 0.78 KDM4E (0.36) KDM4ENPC1RAB9APSMD14COPS5
SCHEMBL14437861 0.78 CCR1 (0.56) CCR1CCR8CCR5LMNAMAPT
SCHEMBL13898402 0.76 CCR1 (0.58) CCR1CCR8CCR5LMNAMAPT
SCHEMBL12023644 0.76 CCR1 (0.57) CCR1CCR8CCR5LMNAMAPT
SCHEMBL21809377 0.76 LMNA (0.55) CCR1CCR8CCR5LMNAMAPT
SCHEMBL29168494 0.73 CYP1A2 (0.47) MAPTKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL30501661 0.73 CYP1A2 (0.47) MAPTKDM4ESMN1; SMN2KMT2AALDH1A1

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-20200095224-A1 NITROGEN HETEROCYCLIC COMPOUND, DISPLAY PANEL AND DISPLAY APPARATUS WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2020-03-26 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-20200095224-A1 NITROGEN HETEROCYCLIC COMPOUND, DISPLAY PANEL AND DISPLAY APPARATUS C5, CCND2, OCIAD2 CCR1 283/4885CCR8 906/4885CCR5 1224/4885

“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.