SCHEMBL3552219

SCHEMBL3552219

CN(c1cccnc1)c1cc(Cl)nc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.40
RXRB P28702 6/20 0.40
RXRG P48443 5/20 0.40
GRM5 P41594 2/20 0.38
SYK P43405 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
KCNA5 P22460 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAP3K8 P41279 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5097591 0.82 RXRA (0.53) RXRARXRBRXRGMEN1KMT2A
SCHEMBL3553376 0.80 GRM5 (0.40) GRM5CHRNB2CHRNA4KCNA5DYRK1A
SCHEMBL3554873 0.76 EPHB4 (0.43) MEN1KMT2A
SCHEMBL3409401 0.74 KCNA5 (0.49) GRM5CHRNB2CHRNA4KCNA5
Hydrochloric Acid SCHEMBL4024971 0.72 KCNA5 (0.47) GRM5CHRNB2CHRNA4KCNA5
SCHEMBL3560362 0.72 CYP2D6 (0.40) RXRARXRBRXRGMEN1KMT2A
SCHEMBL13367575 0.70 KCNA5 (0.41) GRM5CHRNB2CHRNA4KCNA5
SCHEMBL2128199 0.70 CYP2A6 (0.47) GRM5SYKCHRNB2CHRNA4KCNA5
SCHEMBL23577438 0.70 EGFR (0.60) MEN1KMT2A
SCHEMBL30013867 0.70 EGFR (0.60) MEN1KMT2A

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
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 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 (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-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 RXRA 1143/4885RXRB 986/4885RXRG 942/4885
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 RXRA 166/4885RXRB 99/4885RXRG 171/4885

“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.