SCHEMBL800783

SCHEMBL800783

C=C(c1cccnc1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
SARM1 Q6SZW1 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
SIRT4 Q9Y6E7 1/20 0.48

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
SCHEMBL4296648 0.79 PLOD2 (0.54) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL609057 0.78
SCHEMBL8865984 0.78 ALDH1A1 (0.58) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL31703901 0.78 LMNA (0.69) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL800635 0.78 LMNA (0.69) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL7943755 0.77 ALDH1A1 (0.47) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL17974008 0.76 LMNA (0.49) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL708637 0.76
SCHEMBL12123709 0.76 NAPRT (0.41) LMNACYP1A2CYP3A4ALDH1A1GAA
SCHEMBL4274813 0.76

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
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-22 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 US disclosed
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-06-23 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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 (7 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-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF18B, KIF5B, KIF18A LMNA 2708/4885CYP1A2 4277/4885CYP3A4 4776/4885
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS KIF2C, SKP1, KIF5B LMNA 2576/4885CYP1A2 3951/4885CYP3A4 4501/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 LMNA 2512/4885CYP1A2 4290/4885CYP3A4 4725/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK LMNA 4556/4885CYP1A2 4877/4885CYP3A4 4859/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 LMNA 4459/4885CYP1A2 2426/4885CYP3A4 2011/4885
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 LMNA 2583/4885CYP1A2 4275/4885CYP3A4 4738/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK LMNA 4556/4885CYP1A2 4877/4885CYP3A4 4859/4885

“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.