Sugi Predict

Sugi Predict / Compounds / SCHEMBL1709942

SCHEMBL1709942

SCHEMBL1709942

CC(C)(C)OC(=O)NCC1(CC2CC2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CYP2C19 P33261 1/20 0.46
▸ KDM1A O60341 2/20 0.46
▸ GRIN2B Q13224 4/20 0.45
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ SYK P43405 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ YAP1 P46937 1/20 0.43
▸ NPFFR1 Q9GZQ6 1/20 0.42
▸ NPFFR2 Q9Y5X5 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PDK1 Q15118 1/20 0.42

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
SCHEMBL5352770 0.83 KDM1A (0.53) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL21631394 0.83 KDM1A (0.59) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16399970 0.83 HTT (0.56) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1980853 0.82 TACR1 (0.52) HTTKDM4EPKMSYKMEN1
SCHEMBL21631648 0.82 HTT (0.50) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5351275 0.81 KDM4E (0.62) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL23070881 0.80 HTT (0.48) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3273406 0.80 KDM1A (0.47) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL25307550 0.79 SMN1; SMN2 (0.53) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3273006 0.79 KDM1A (0.52) HTTSMN1; SMN2NPC1RAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103442568-A Furo [3,2-d ] pyrimidine compounds ABBVIE INC 2013-12-11 — — CN disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 — — US disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 — — US disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 — — US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 — — US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 — — US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 — — US disclosed
WO-2012048222-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-12 — — 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 HTT 4623/4885SMN1; SMN2 4293/4885NPC1 1145/4885

“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.