SCHEMBL17653129

SCHEMBL17653129

CC(C)CCC(=O)Nc1ccc(Br)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GRK2 P25098 1/20 0.38
RECQL P46063 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
SCHEMBL17289906 0.80 TSHR (0.49) TSHRPOLBSMN1; SMN2ALDH1A1TDP1
SCHEMBL17653270 0.79 AAK1 (0.50) TSHRAAK1CYP3A4
SCHEMBL7930580 0.79 ALDH1A1 (0.42) TSHRPOLBSMN1; SMN2ALDH1A1TDP1
SCHEMBL17493775 0.78 AAK1 (0.51) POLBTDP1KDM4EAAK1MEN1
SCHEMBL17653309 0.78 LMNA (0.46) TSHRALDH1A1AAK1GAACYP1A2
SCHEMBL17653076 0.77 POLB (0.53) POLBSMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL17653144 0.76 ALDH1A1 (0.62) POLBALDH1A1TDP1KDM4EGAA
SCHEMBL406327 0.75 HPGD (0.47) TSHRALDH1A1KDM4EAAK1GAA
SCHEMBL16371664 0.74 AAK1 (0.48) SMN1; SMN2AAK1MAPK1
SCHEMBL2830215 0.73 NLRP3 (0.55) SMN1; SMN2ALDH1A1KDM4EAAK1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
EP-3200797-A1 QUINAZOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-09 EP disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 WO disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS AAK1, ULK1, NCK1 TSHR 4759/4885POLB 3669/4885SMN1; SMN2 3187/4885

“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.