SCHEMBL21362659

SCHEMBL21362659

CC(C)(CCC(C)(C)c1ccncn1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.41
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNA5 P22460 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KIF11 P52732 1/20 0.35
CYP3A5 P20815 1/20 0.33

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
SCHEMBL19872121 0.88 CYP19A1 (0.41) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL19879719 0.83 CYP19A1 (0.41) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL20920914 0.82 CYP19A1 (0.40) CYP19A1CYP3A4KIF11
SCHEMBL21553999 0.81 CYP19A1 (0.42) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL24065679 0.80 CYP19A1 (0.47) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL26195181 0.78 CYP19A1 (0.41) CYP19A1CNR1CNR2KIF11
SCHEMBL19865805 0.78 CYP19A1 (0.36) CYP19A1
SCHEMBL24656639 0.76 CYP19A1 (0.44) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL21370103 0.75 CYP19A1 (0.39) CYP19A1CYP3A4
SCHEMBL18427184 0.75 CYP19A1 (0.49) CYP19A1CYP3A4LMNACYP1A2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10786480-B2 Combination therapy of a HIF-2-α inhibitor and an immunotherapeutic agent and uses thereof PELOTON THERAPEUTICS, INC. (US) 2020-09-29 US disclosed
US-20190282535-A1 COMBINATION THERAPY OF A HIF-2-ALPHA INHIBITOR AND AN IMMUNOTHERAPEUTIC AGENT AND USES THEREOF PELOTON THERAPEUTICS, INC. 2019-09-19 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 (2 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-20190282535-A1 COMBINATION THERAPY OF A HIF-2-ALPHA INHIBITOR AND AN IMMUNOTHERAPEUTIC AGENT AND USES THEREOF HIF1AN, HIF1A, EGLN2 CYP19A1 2096/4885CYP3A4 4620/4885LMNA 4219/4885
US-10786480-B2 Combination therapy of a HIF-2-α inhibitor and an immunotherapeutic agent and uses thereof HIF1AN, HIF1A, EGLN2 CYP19A1 2352/4885CYP3A4 4660/4885LMNA 4070/4885

“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.