SCHEMBL22969264

SCHEMBL22969264

Nc1ccc(-c2cccc3cccnc23)c(F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 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
MAPT P10636 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
CCR1 P32246 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
HTT P42858 1/20 0.47
MMP13 P45452 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
SCHEMBL29495923 0.83 LMNA (0.50) LMNAMMP2TSHRSMN1; SMN2KDM4E
SCHEMBL22969268 0.83 LMNA (0.50) LMNAMMP2TSHRSMN1; SMN2KDM4E
SCHEMBL22969600 0.81 LMNA (0.49) LMNAMMP2TSHRSMN1; SMN2KDM4E
SCHEMBL24669792 0.81 LMNA (0.47) LMNAMMP2TSHRSMN1; SMN2KDM4E
SCHEMBL30184687 0.78 CCR1 (0.75) LMNAMMP2TSHRSMN1; SMN2KDM4E
SCHEMBL1282008 0.78 CCR1 (0.75) LMNAMMP2TSHRSMN1; SMN2KDM4E
SCHEMBL22969456 0.78 HTR2A (0.47) LMNAMMP2TSHRSMN1; SMN2KDM4E
SCHEMBL22969604 0.77 HTR2A (0.44) LMNAMMP2TSHRSMN1; SMN2KDM4E
SCHEMBL29495934 0.77 HTR2A (0.44) LMNAMMP2TSHRSMN1; SMN2KDM4E
SCHEMBL22969260 0.76 LMNA (0.42) LMNAMMP2TSHRSMN1; SMN2KDM4E

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 4712/4885MMP2 4018/4885TSHR 407/4885

“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.