SCHEMBL17618459

SCHEMBL17618459

O=C(Nc1ccncc1F)N1c2nc(-c3cccc(N4CCCC4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 8/20 0.38
▸ PIM3 Q86V86 8/20 0.38
▸ TRPV3 Q8NET8 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ PIM1 P11309 6/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ EGFR P00533 2/20 0.34
▸ ERBB2 P04626 2/20 0.34
▸ INSR P06213 1/20 0.34
▸ CAMK2D Q13557 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL17618404 0.90 TRPV1 (0.42) PIM2PIM3PIM1TRPV1JAK2
SCHEMBL17618360 0.89 GRM5 (0.37) PIM2PIM3PIM1TRPV1JAK2
SCHEMBL19365347 0.89 BTK (0.36) PIM2PIM3PIM1TRPV1
SCHEMBL16238183 0.88 RPS6KB1 (0.39) —
SCHEMBL17618645 0.88 GRM5 (0.40) PIM2PIM3PIM1TRPV1
SCHEMBL17618453 0.87 GPR6 (0.39) JAK2
SCHEMBL17618492 0.86 ABL1 (0.42) PIM2PIM3ABL1BCRCAMK2D
SCHEMBL17618374 0.86 IDH2 (0.40) PIM2PIM3PIM1TRPV1
SCHEMBL17618501 0.86 KARS1 (0.44) PIM2PIM3ABL1BCRCAMK2D
SCHEMBL17618462 0.85 ABL1 (0.41) ABL1

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 9 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
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM2 3491/4885PIM3 3869/4885TRPV3 4464/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM3 3489/4885TRPV3 4093/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM3 3489/4885TRPV3 4093/4885

“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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