SCHEMBL17618878

SCHEMBL17618878

NCc1cccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC[C@H]2C3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 5/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ CAMK1D Q8IU85 3/20 0.38
▸ LOXL2 Q9Y4K0 2/20 0.38
▸ MAP3K7 O43318 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ MAPK3 P27361 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SYK P43405 1/20 0.38

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
SCHEMBL17618875 0.95 KMT2A (0.41) IDH2LMNATSHRKCNH2CCR2
SCHEMBL16250010 0.94 CA2 (0.42) IDH2KDM4EUSP2LMNAALOX15
Hydrochloric Acid SCHEMBL16238734 0.93 CA2 (0.41) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL16250003 0.89 CA2 (0.42) IDH2KDM4EMAPTLOXL2LOX
Hydrochloric Acid SCHEMBL16238420 0.88 CA2 (0.42) IDH2KDM4EMAPTLOXL2LOX
SCHEMBL19670574 0.88 KDM4E (0.39) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL17624535 0.88 KDM4E (0.39) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL17618783 0.87 MEN1 (0.47) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL17624591 0.87 IDH2 (0.42) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL16249947 0.87 IDH2 (0.42) IDH2KDM4EUSP2LMNAALOX15

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 42/4885KDM4E 1109/4885USP2 183/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885KDM4E 950/4885USP2 218/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDH2 34/4885KDM4E 950/4885USP2 218/4885

“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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