SCHEMBL3754688

SCHEMBL3754688

CC(C)(C)c1cc(-c2cncc(Br)c2)nc(-c2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
MDM2 Q00987 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 3/20 0.40
PKM P14618 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
CYP2A6 P11509 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL19037577 0.83 CYP2A6 (0.58) GRM5KDM4EGAAMDM2TDP1
SCHEMBL19037592 0.79 KDM4E (0.57) KDM4EGAAMDM2TDP1SMN1; SMN2
SCHEMBL2121006 0.79 CYP2A6 (0.56) GRM5KDM4ETDP1SMN1; SMN2TP53
SCHEMBL3660432 0.79 GRM5 (0.48) GRM5KDM4ETDP1SMN1; SMN2TP53
SCHEMBL19037593 0.75 CYP2A6 (0.54) GRM5KDM4EGAAMDM2SMN1; SMN2
SCHEMBL4179017 0.74 GRM5 (0.71) GRM5KDM4ESMN1; SMN2TP53PKM
SCHEMBL3663869 0.73 GRM5 (0.36) GRM5KDM4ETDP1SMN1; SMN2TP53
SCHEMBL4183866 0.73 CYP2A6 (0.36) GRM5KDM4ETDP1SMN1; SMN2TP53
SCHEMBL4197856 0.70 GRM5 (0.61) GRM5KDM4ESMN1; SMN2TP53PKM
SCHEMBL3667875 0.70 GPR39 (0.37) GRM5KDM4ETDP1SMN1; SMN2TP53

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-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 EP disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 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-20100298337-A1 Organic Compounds CYP11B2, TNNT2, CPT1B GRM5 4496/4885KDM4E 3699/4885GAA 3508/4885

“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.