SCHEMBL17653174

SCHEMBL17653174

CC(C)CCc1nc(N(C)C)c2cc(Br)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.44
AAK1 Q2M2I8 2/20 0.43
HTT P42858 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
DPP4 P27487 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
EGFR P00533 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
SCHEMBL17653177 0.81 AAK1 (0.44) AAK1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL17653238 0.81 PDE10A (0.41) PDE10AAAK1
SCHEMBL17653260 0.81 PDE10A (0.41) PDE10AAAK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17653165 0.80 AAK1 (0.43) AAK1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL17653345 0.79 AAK1 (0.39) AAK1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL17653336 0.78 AAK1 (0.43) AAK1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL17653358 0.78 AAK1 (0.45) PDE10AAAK1HTTLMNASMN1; SMN2
SCHEMBL17653112 0.78 FLT3 (0.52)
SCHEMBL17653194 0.77 DHODH (0.43) AAK1HTTSMN1; SMN2ALDH1A1DPP4
SCHEMBL17653241 0.75 RXFP1 (0.41) AAK1HTTSMN1; SMN2ALDH1A1DPP4

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 PDE10A 3746/4885AAK1 1/4885HTT 3291/4885

“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.