SCHEMBL3030243

SCHEMBL3030243

CC(C)NCCNC(=O)c1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
PARP1 P09874 1/20 0.39
NAAA Q02083 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10874688 0.83 LMNA (0.64) LMNAPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL14679370 0.81 LMNA (0.67) LMNAPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL3038367 0.81 LMNA (0.47) LMNAPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL3037047 0.80 SMN1; SMN2 (0.49) LMNAPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL9511754 0.80 CYP1A2 (0.54) LMNAPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL25724177 0.80 TSHR (0.60) LMNARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2477903 0.79 KDM4E (0.56) LMNAPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL27773889 0.77 KMT2A (0.61) LMNARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1416276 0.77 POLB (0.51) LMNAPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL4515771 0.77 PRSS1 (0.54) LMNAPOLBRAB9ANPC1SMN1; SMN2

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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 WO 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF LMNA 1993/4885POLB 1912/4885RAB9A 637/4885

“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.