Sugi Predict

Sugi Predict / Compounds / SCHEMBL13524747

SCHEMBL13524747

SCHEMBL13524747

CC[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.89
▸ KDR P35968 7/20 0.89
▸ PRKCQ Q04759 7/20 0.89
▸ FLT3 P36888 5/20 0.89
▸ PRKD3 O94806 5/20 0.89
▸ PRKCA P17252 5/20 0.89
▸ PRKCH P24723 5/20 0.89
▸ PRKCI P41743 5/20 0.89
▸ PRKCE Q02156 5/20 0.89
▸ PRKCD Q05655 5/20 0.89
▸ PRKD1 Q15139 5/20 0.89
▸ MYLK Q15746 4/20 0.89
▸ CDK4 P11802 3/20 0.89
▸ CDK2 P24941 3/20 0.89
▸ MAP3K11 Q16584 3/20 0.89
▸ CAMKK2 Q96RR4 3/20 0.89
▸ JAK2 O60674 2/20 0.89
▸ PLK4 O00444 2/20 0.89
▸ CHEK1 O14757 2/20 0.89
▸ AURKA O14965 2/20 0.89

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
SCHEMBL14342269 1.00 NTRK1 (0.89) NTRK1KDRPRKCQFLT3PRKD3
Lestaurtinib SCHEMBL12963759 0.94 NTRK1 (1.00) NTRK1KDRPRKCQFLT3PRKD3
Lestaurtinib SCHEMBL29625224 0.94 NTRK1 (1.00) NTRK1KDRPRKCQFLT3PRKD3
Lestaurtinib SCHEMBL1649693 0.94 NTRK1 (1.00) NTRK1KDRPRKCQFLT3PRKD3
Lestaurtinib SCHEMBL17971367 0.94 NTRK1 (1.00) NTRK1KDRPRKCQFLT3PRKD3
Lestaurtinib SCHEMBL17971365 0.94 NTRK1 (1.00) NTRK1KDRPRKCQFLT3PRKD3
Lestaurtinib SCHEMBL12228516 0.94 NTRK1 (1.00) NTRK1KDRPRKCQFLT3PRKD3
Lestaurtinib SCHEMBL16139562 0.94 NTRK1 (1.00) NTRK1KDRPRKCQFLT3PRKD3
Lestaurtinib SCHEMBL13169434 0.94 NTRK1 (1.00) NTRK1KDRPRKCQFLT3PRKD3
Lestaurtinib SCHEMBL730955 0.94 NTRK1 (1.00) NTRK1KDRPRKCQFLT3PRKD3

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 — — US disclosed
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates GILEAD SCIENCES, INC. 2007-12-06 — — 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-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB NTRK1 901/4885KDR 860/4885PRKCQ 94/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN NTRK1 4080/4885KDR 1628/4885PRKCQ 597/4885
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates PIK3CA, PNKP, PLK1 NTRK1 755/4885KDR 593/4885PRKCQ 131/4885

“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.