SCHEMBL20164755

SCHEMBL20164755

C=CCNc1nc(Cl)c2nc(Cl)nc(Cl)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.34
GBA1 P04062 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL16094539 0.82 ALDH1A1 (0.49) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3414696 0.81 KMT2A (0.57) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4856408 0.81 KMT2A (0.61) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20164561 0.78 CYP1A2 (0.44) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3237315 0.73 GAA (0.53) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16105004 0.73 ALDH1A1 (0.54) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11785501 0.73 CYP1A2 (0.55) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11577925 0.73 KMT2A (0.50) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9325917 0.73 KMT2A (0.50) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7930960 0.72 GAA (0.46) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same NEURAD LTD. (IL) 2019-05-21 US disclosed
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 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 (2 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-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same MTNR1B, CHRM3, PER2 KMT2A 2456/4885CYP1A2 2209/4885CYP3A4 3043/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 KMT2A 2528/4885CYP1A2 1724/4885CYP3A4 2598/4885

“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.