SCHEMBL3227545

SCHEMBL3227545

CC(C)(C)Nc1nc(Nc2ccc(C3(C(=O)O)CCC3)cc2)nc(-c2ccccc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AKT1 P31749 8/20 0.35
▸ AKT2 P31751 8/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ PLK1 P53350 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
SCHEMBL3264547 0.93 IDH2 (0.37) IDH2SYKMAPTLMNAMAPK1
SCHEMBL3234022 0.78 SYK (0.42) IDH2AKR1C1SYKMAPTLMNA
Dimethylamine SCHEMBL3266676 0.77 SYK (0.40) IDH2AKR1C1SYKMAPTLMNA
SCHEMBL3264006 0.77 SYK (0.42) IDH2AKR1C1SYKMAPTLMNA
SCHEMBL2269303 0.75 BRD4 (0.39) AKR1C1SYK
SCHEMBL3233798 0.74 VCP (0.43) IDH2AKR1C1SYKMAPTLMNA
SCHEMBL3265292 0.74 SYK (0.43) IDH2SYKMAPTLMNANPC1
SCHEMBL3262310 0.74 ABCG2 (0.43) IDH2AKR1C1NPC1RAB9AADORA1
SCHEMBL3229406 0.73 CA12 (0.36) IDH2AKR1C1SYKNPC1RAB9A
SCHEMBL3236168 0.72 AKT1 (0.40) IDH2SYKMAPTLMNAAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US claimed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO claimed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO 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 (1 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 IDH2 2386/4885AKR1C1 3588/4885SYK 571/4885

“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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