SCHEMBL21026145

SCHEMBL21026145

Cc1nc2ccc(C(C)C)cc2n1C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.54
CCNT1 O60563 2/20 0.54
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
HCAR1 Q9BXC0 2/20 0.43
CCR5 P51681 2/20 0.43
CYP2D6 P10635 1/20 0.43
DYRK1A Q13627 2/20 0.42
DYRK2 Q92630 2/20 0.42
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
IDH1 O75874 2/20 0.40
TP53 P04637 1/20 0.40
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 1/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL27120383 0.94 CDK9 (0.49) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL15341908 0.88 CCR5 (0.48) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL15341907 0.88 CDK9 (0.44) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL15341822 0.84 CCR5 (0.42) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL20132640 0.84 CCNT1 (0.40) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL15341821 0.83 JAK2 (0.39) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL15341758 0.83 CCR5 (0.46) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL15341824 0.83 JAK2 (0.39) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL15341825 0.83 CCR5 (0.46) CDK9CCNT1KDM4EALDH1A1MAPT
SCHEMBL15341911 0.82 KDM4E (0.55) CDK9CCNT1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CDK9 653/4885CCNT1 2456/4885KDM4E 4221/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 CDK9 3556/4885CCNT1 3777/4885KDM4E 3788/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CDK9 653/4885CCNT1 2456/4885KDM4E 4221/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CDK9 653/4885CCNT1 2456/4885KDM4E 4221/4885

“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.