SCHEMBL18497478

SCHEMBL18497478

c1ccc(NC2CNC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.53
▸ FLT3 P36888 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ NOS2 P35228 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ ADRA2A P08913 2/20 0.42
▸ ADRA2B P18089 2/20 0.42
▸ ADRA2C P18825 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
Hydrochloric Acid SCHEMBL34474187 0.98 HRH3 (0.51) HRH3FLT3IRAK4NPC1RAB9A
Trifluoroacetic Acid SCHEMBL21640389 0.86 HRH3 (0.47) HRH3FLT3NPC1RAB9APKM
Trifluoroacetic Acid SCHEMBL30585792 0.86 HRH3 (0.47) HRH3FLT3NPC1RAB9APKM
SCHEMBL17961796 0.86 IRAK4 (0.50) HRH3FLT3IRAK4NOS2
SCHEMBL13326544 0.86 IRAK4 (0.50) HRH3FLT3IRAK4NOS2
SCHEMBL25422820 0.86 IRAK4 (0.50) HRH3FLT3IRAK4NOS2
SCHEMBL30632323 0.86 IRAK4 (0.50) HRH3FLT3IRAK4NOS2
SCHEMBL6216854 0.86 IRAK4 (0.50) HRH3FLT3IRAK4NOS2
Hydrochloric Acid SCHEMBL4056190 0.84 IRAK4 (0.49) HRH3FLT3IRAK4NOS2ADRA2A
Hydrochloric Acid SCHEMBL4056189 0.84 IRAK4 (0.49) HRH3FLT3IRAK4NOS2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 — — US disclosed
US-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 — — US disclosed
US-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 — — US disclosed
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 — — US disclosed
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-07-17 — — US disclosed
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-07-17 — — US disclosed
EP-3334728-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2018-06-20 — — EP disclosed
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-11-30 — — US disclosed
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-11-30 — — US disclosed
US-9682965-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-06-20 — — US disclosed
US-9682965-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-06-20 — — US disclosed
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-03-09 — — US disclosed
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-03-09 — — US disclosed
WO-2017027684-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2017-02-16 — — WO disclosed
WO-2017027684-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2017-02-16 — — 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 (5 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-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 HRH3 1370/4885FLT3 1063/4885IRAK4 4181/4885
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 HRH3 1370/4885FLT3 1063/4885IRAK4 4181/4885
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 HRH3 1370/4885FLT3 1063/4885IRAK4 4181/4885
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 HRH3 1370/4885FLT3 1063/4885IRAK4 4181/4885
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same METAP2, FAP, FOLH1 HRH3 1370/4885FLT3 1063/4885IRAK4 4181/4885

“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.

Send feedback