SCHEMBL19966723

SCHEMBL19966723

CCCCCC(C)NCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
BCHE P06276 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ADRB2 P07550 4/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
METAP2 P50579 1/20 0.35

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
SCHEMBL19818963 0.95 HTT (0.49) HTTCYP1A2KMT2AMEN1ADH1B
SCHEMBL28996806 0.79 CYP1A2 (0.41) HTTCYP1A2KMT2AALDH1A1MEN1
SCHEMBL14810792 0.79 HTT (0.46) HTTCYP1A2ADH1BADH1CADH1A
SCHEMBL172619 0.79 HTT (0.46) HTTCYP1A2ADH1BADH1CADH1A
SCHEMBL10045069 0.77 SAT1 (0.54) HTTCYP1A2KMT2AMEN1ADH1B
SCHEMBL21099705 0.77 SIGMAR1 (0.47) HTTKMT2AMEN1SIGMAR1
SCHEMBL8467849 0.77 SIGMAR1 (0.47) HTTKMT2AMEN1SIGMAR1
SCHEMBL28544175 0.76 CYP1A2 (0.45) HTTCYP1A2KMT2AALDH1A1MEN1
SCHEMBL19593153 0.74 EPHX1 (0.41) CYP1A2KMT2AMEN1ADH1BADH1C
SCHEMBL11057091 0.74 EPHX1 (0.41) CYP1A2KMT2AMEN1ADH1BADH1C

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-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-12 US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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 (2 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-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 HTT 4643/4885CYP1A2 4626/4885KMT2A 1241/4885
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors IRAK4, IRAK1, IRAK3 HTT 4643/4885CYP1A2 4626/4885KMT2A 1241/4885

“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.