SCHEMBL3117175

SCHEMBL3117175

Nc1ncnc2c(C3CCNCC3)nn(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.47
EGFR P00533 2/20 0.44
NPY5R Q15761 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
LMNA P02545 1/20 0.39
KEAP1 Q14145 1/20 0.39
KIT P10721 1/20 0.39
BTK Q06187 2/20 0.38
AURKB Q96GD4 1/20 0.38
RIPK2 O43353 1/20 0.38
ACVR1 Q04771 1/20 0.38
NOD2 Q9HC29 1/20 0.38
GLA P06280 1/20 0.38
TERT O14746 1/20 0.37
FFAR2 O15552 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL3117545 0.86 EGFR (0.49) EGFRLMNABTKRIPK2ACVR1
SCHEMBL28953972 0.73 EGFR (0.47) EGFRBTKGLA
SCHEMBL3123936 0.73 SRC (0.47) EGFRBTKAURKB
SCHEMBL1382429 0.69 EGFR (0.54) EGFR
SCHEMBL13193469 0.69 CSF1R (0.64)
SCHEMBL21044835 0.69 BTK (0.73) EGFRBTK
SCHEMBL20533284 0.68 EGFR (0.52) EGFRPKMLMNABTKFFAR2
SCHEMBL3123123 0.67 EGFR (0.47) EGFRBTK
SCHEMBL28954058 0.67 BTK (0.58) BTK
SCHEMBL18553766 0.65 HTR6 (1.00) HTR6PKMHPGDLMNAKEAP1

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-20030225098-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US claimed
US-20030199525-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-23 US claimed
US-7829570-B2 Substituted 4-amino isoxazolo[5,4-d]pyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2010-11-09 US disclosed
US-20100041676-A1 Kinase inhibitors ABBVIE INC. 2010-02-18 US disclosed
US-20030225098-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
US-20030199525-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-23 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 (3 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-20030199525-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 HTR6 3350/4885EGFR 346/4885NPY5R 4661/4885
US-20030225098-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 HTR6 2848/4885EGFR 298/4885NPY5R 4381/4885
US-20100041676-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K6 HTR6 4079/4885EGFR 232/4885NPY5R 4582/4885

“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.