SCHEMBL5459949

SCHEMBL5459949

Cc1c(-c2ccccc2)c(N2CCCC2N(C)C)n2nc(-c3ccncc3)nc2c1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
GRM5 P41594 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL5442795 0.96 GRM5 (0.35) POLBRXFP1ALDH1A1CYP1A2CYP3A4
SCHEMBL5452566 0.92 RXFP1 (0.39) POLBRXFP1ALDH1A1MEN1KMT2A
SCHEMBL5458301 0.87 GRM5 (0.36) POLBRXFP1ALDH1A1MAPTCYP1A2
SCHEMBL5442736 0.85 PDE4D (0.37) RXFP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL5446968 0.84 LMNA (0.35) POLBRXFP1ALDH1A1MAPTCYP1A2
SCHEMBL5447395 0.84 LMNA (0.35) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL5444083 0.84 GRM5 (0.34) POLBRXFP1ALDH1A1MAPTCYP1A2
SCHEMBL5439991 0.84 USP30 (0.34) POLBRXFP1ALDH1A1MAPTCYP1A2
SCHEMBL5450856 0.83 ALDH1A1 (0.35) POLBRXFP1ALDH1A1MAPTCYP1A2
SCHEMBL5447397 0.83 LMNA (0.35) POLBRXFP1ALDH1A1MAPTCYP1A2

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-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 POLB 2910/4885RXFP1 4160/4885ALDH1A1 1357/4885

“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.