SCHEMBL19706058

SCHEMBL19706058

O=C(Nc1ccncc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC[C@@H]1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ SRPK2 P78362 1/20 0.41
▸ SRPK1 Q96SB4 1/20 0.41
▸ SRPK3 Q9UPE1 1/20 0.41
▸ IDH2 P48735 7/20 0.41
▸ NPY2R P49146 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PHGDH O43175 1/20 0.39
▸ CPT2 P23786 1/20 0.39
▸ CPT1A P50416 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
SCHEMBL16249947 0.93 IDH2 (0.42) CA2CA9KDRSRPK2SRPK1
SCHEMBL17624591 0.93 IDH2 (0.42) CA2CA9KDRSRPK2SRPK1
SCHEMBL19365635 0.93 IDH2 (0.42) CA2CA9KDRSRPK2SRPK1
SCHEMBL17618906 0.92 CA2 (0.42) CA2CA9IDH2NPY2RTRPV1
SCHEMBL17618902 0.92 CA2 (0.42) CA2CA9IDH2NPY2RTRPV1
SCHEMBL19699081 0.90 IDH2 (0.46) CA2CA9IDH2NPY2RTRPV1
SCHEMBL16249974 0.88 HTR2C (0.49) KDRIDH2TRPV1TSHRMEN1
SCHEMBL17618702 0.85 MEN1 (0.39) CA2CA9IDH2NPY2RTRPV1
SCHEMBL16775973 0.85 MPL (0.44) CA2CA9IDH2NPY2RKDM4E
SCHEMBL19365515 0.85 HTR2C (0.47) IDH2TRPV1KDM4EUSP2LMNA

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885KDR 1697/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885KDR 1697/4885

“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.

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