SCHEMBL11535686

SCHEMBL11535686

Cc1nc2cc(C(C)C)ccc2n1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 4/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CSNK1E P49674 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK4 Q9NR20 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
FABP4 P15090 1/20 0.40
CASR P41180 3/20 0.39
TRPC5 Q9UL62 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37

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
SCHEMBL19836554 0.86 CSNK1E (0.43) SMN1; SMN2LMNATSHRHSD17B10CSNK1E
SCHEMBL15345130 0.84 HSD17B10 (0.42) LMNATSHRHSD17B10CSNK1ECLK1
SCHEMBL9886621 0.82 KDM4E (0.51) SMN1; SMN2LMNAHSD17B10HDAC6HDAC3
SCHEMBL12205826 0.82 TSHR (0.47) SMN1; SMN2LMNATSHRHSD17B10CASR
Hydrochloric Acid SCHEMBL11530947 0.81 KDM4E (0.50) SMN1; SMN2LMNAHSD17B10HDAC6HDAC3
SCHEMBL8130706 0.81 CYP11B1 (0.45) SMN1; SMN2CSNK1ECLK1CLK2CLK3
SCHEMBL1914100 0.81 KDM4E (0.55) LMNAHSD17B10CSNK1ECLK1CLK2
SCHEMBL12730097 0.81 CASR (0.41) SMN1; SMN2LMNATSHRHSD17B10FABP4
Hydrochloric Acid SCHEMBL11530944 0.79 MAPT (0.49) SMN1; SMN2LMNAHSD17B10HDAC6HDAC3
SCHEMBL11534871 0.78 KDM4E (0.60) SMN1; SMN2LMNATSHRHDAC1HDAC8

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-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-4142886-A Substituted benzimidazole compounds and use as herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-03-06 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 SMN1; SMN2 1111/4885LMNA 3781/4885TSHR 4662/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 SMN1; SMN2 1111/4885LMNA 3781/4885TSHR 4662/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 SMN1; SMN2 1111/4885LMNA 3781/4885TSHR 4662/4885

“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.