SCHEMBL3552324

SCHEMBL3552324

CN(c1ccccn1)c1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NAPEPLD Q6IQ20 3/20 0.42
FFAR1 O14842 1/20 0.42
PIK3CA P42336 3/20 0.41
MTOR P42345 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3554145 0.82 KMT2A (0.44) KMT2AMAPTCYP1A2CYP2D6HTT
SCHEMBL3560368 0.80 KMT2A (0.50) KMT2AMAPTCYP1A2CYP2D6HTT
SCHEMBL3556493 0.79 CYP2D6 (0.42) KMT2ACYP1A2CYP2D6LMNASMN1; SMN2
SCHEMBL16094927 0.78 CYP1A2 (0.60) KMT2AMAPTCYP1A2CYP2D6HTT
SCHEMBL3558616 0.78 KMT2A (0.46) KMT2AMAPTCYP1A2CYP2D6HTT
SCHEMBL5449021 0.73 HPGD (0.52) KMT2AMAPTCYP1A2CYP2D6HTT
SCHEMBL4133828 0.71 PIK3CA (0.68) HTTPIK3CAMTORPIK3CBPIK3CG
SCHEMBL25687569 0.71 CYP2D6 (0.42) KMT2ACYP1A2CYP2D6HTTLMNA
SCHEMBL23505799 0.70 CYP1A2 (0.54) KMT2AMAPTCYP1A2CYP2D6HTT
SCHEMBL3560513 0.70 PIK3CA (0.66) KMT2AMAPTCYP1A2CYP2D6HTT

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-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 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-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 KMT2A 3223/4885MAPT 2901/4885CYP1A2 619/4885

“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.