SCHEMBL22680752

SCHEMBL22680752

Cc1nc2c(C(=O)NC3CCN(C)CC3)cnn2c(O)c1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
TP53 P04637 3/20 0.53
ALDH1A1 P00352 10/20 0.49
HPGD P15428 8/20 0.49
KDM4E B2RXH2 8/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RUVBL1 Q9Y265 1/20 0.49
HSD17B10 Q99714 4/20 0.44
TSHR P16473 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
TYK2 P29597 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL22680750 0.82 LMNA (0.56) LMNATP53ALDH1A1HPGDKDM4E
SCHEMBL902112 0.80 LMNA (0.57) LMNATP53ALDH1A1HPGDKDM4E
SCHEMBL22796564 0.78 TP53 (0.85) LMNATP53ALDH1A1HPGDKDM4E
SCHEMBL22796708 0.77 LMNA (0.65) LMNATP53ALDH1A1HPGDKDM4E
SCHEMBL22796563 0.77 LMNA (0.70) LMNATP53ALDH1A1HPGDKDM4E
SCHEMBL22680749 0.75 LMNA (0.70) LMNATP53ALDH1A1HPGDKDM4E
SCHEMBL902657 0.74 TP53 (0.60) LMNATP53ALDH1A1HPGDKDM4E
SCHEMBL902831 0.74 ALDH1A1 (0.83) LMNATP53ALDH1A1HPGDKDM4E
SCHEMBL17616166 0.73 HSD17B10 (0.53) LMNATP53ALDH1A1HPGDKDM4E
SCHEMBL902473 0.72 HSD17B10 (0.57) LMNATP53ALDH1A1HPGDKDM4E

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-20200360381-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTION AND OTHER VIRAL INFECTIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-19 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-20200360381-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTION AND OTHER VIRAL INFECTIONS F3, CD4, F12 LMNA 2345/4885TP53 1325/4885ALDH1A1 3098/4885

“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.