SCHEMBL2067735

SCHEMBL2067735

CN(C(=O)O)C(c1ccc(Cl)nc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.40
ALDH1A1 P00352 3/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR2 O15552 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.34
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL1684468 0.73 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL2228688 0.73 HIF1A (0.36) ALDH1A1SMN1; SMN2POLBTP53CYP3A4
SCHEMBL753852 0.72 NAPRT (0.44) NAPRTALDH1A1AKR1C3AKR1C2MEN1
SCHEMBL2065632 0.72 NAPRT (0.41) NAPRTALDH1A1AKR1C3AKR1C2MEN1
SCHEMBL15370353 0.72 ALDH1A1 (0.38) NAPRTALDH1A1AKR1C3AKR1C2MEN1
SCHEMBL21435809 0.70 NAPRT (0.46) NAPRTALDH1A1AKR1C3AKR1C2MEN1
SCHEMBL29048287 0.70 ALDH1A1 (0.37) NAPRTALDH1A1AKR1C3AKR1C2MEN1
SCHEMBL1747676 0.69 NAPRT (0.48) NAPRTAKR1C3AKR1C2SMN1; SMN2POLB
SCHEMBL31420077 0.69 NAPRT (0.48) NAPRTAKR1C3AKR1C2SMN1; SMN2POLB
SCHEMBL890206 0.69 ALDH1A1 (0.41) NAPRTALDH1A1AKR1C3AKR1C2MEN1

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-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 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-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 NAPRT 1362/4885ALDH1A1 1870/4885AKR1C3 1968/4885

“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.