SCHEMBL22969600

SCHEMBL22969600

Cc1nc(N)ccc1-c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
CCR1 P32246 4/20 0.47
CCR8 P51685 4/20 0.47
CCR5 P51681 3/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47

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
SCHEMBL22969268 0.83 LMNA (0.50) LMNACCR1CCR8CCR5MMP2
SCHEMBL29495923 0.83 LMNA (0.50) LMNACCR1CCR8CCR5MMP2
SCHEMBL28008054 0.83 KDM4E (0.58) LMNACCR1CCR8CCR5MMP2
SCHEMBL22969456 0.81 HTR2A (0.47) LMNACCR1CCR8CCR5MMP2
SCHEMBL24669792 0.81 LMNA (0.47) LMNACCR1CCR8CCR5MMP2
SCHEMBL22969264 0.81 LMNA (0.47) LMNACCR1CCR8CCR5MMP2
SCHEMBL29495934 0.80 HTR2A (0.44) LMNACCR1CCR8CCR5MMP2
SCHEMBL22969604 0.80 HTR2A (0.44) LMNACCR1CCR8CCR5MMP2
SCHEMBL1282008 0.78 CCR1 (0.75) LMNACCR1CCR8CCR5MMP2
SCHEMBL30184687 0.78 CCR1 (0.75) LMNACCR1CCR8CCR5MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-09-22 US disclosed
WO-2021023813-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2021-02-11 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-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS NPFFR2, NPFFR1, OPRL1 LMNA 4712/4885CCR1 2083/4885CCR8 2885/4885

“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.