SCHEMBL17618374

SCHEMBL17618374

O=C(Nc1ccncc1F)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 5/20 0.40
▸ PIM2 Q9P1W9 6/20 0.38
▸ PIM3 Q86V86 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ PIM1 P11309 3/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ KDR P35968 3/20 0.37
▸ SRPK2 P78362 1/20 0.37
▸ SRPK1 Q96SB4 1/20 0.37
▸ SRPK3 Q9UPE1 1/20 0.37
▸ LCK P06239 2/20 0.36
▸ TEK Q02763 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL16238183 0.95 RPS6KB1 (0.39) IDH2BTKRPS6KB1KDRLCK
SCHEMBL17618375 0.92 IDH2 (0.39) IDH2PIM2PIM3KDM4EUSP2
SCHEMBL17618645 0.89 GRM5 (0.40) PIM2PIM3PIM1TRPV1
SCHEMBL19365635 0.88 IDH2 (0.42) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL16249947 0.88 IDH2 (0.42) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL17624591 0.88 IDH2 (0.42) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL19365515 0.88 HTR2C (0.47) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL16250014 0.88 HTR2C (0.47) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL17624590 0.88 HTR2C (0.47) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL17618421 0.87 RPS6KB1 (0.39) IDH2KDM4EBTKRPS6KB1

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 IDH2 42/4885PIM2 3491/4885PIM3 3869/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885PIM2 3242/4885PIM3 3489/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDH2 34/4885PIM2 3242/4885PIM3 3489/4885

“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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