SCHEMBL19634985

SCHEMBL19634985

CCCc1nn(C)c(C(=O)OCC)c1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 5/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ATM Q13315 2/20 0.39
POLB P06746 1/20 0.39
TERT O14746 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL19616064 0.90 KMT2A (0.39) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL19615253 0.90 KMT2A (0.39) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL23251275 0.88 KMT2A (0.38) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL10427543 0.88 KMT2A (0.41) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL19635177 0.86 KMT2A (0.41) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL15273711 0.86 KMT2A (0.41) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL19615389 0.84 KMT2A (0.39) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL19635116 0.84 KMT2A (0.39) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL19615867 0.84 KMT2A (0.39) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL19615265 0.82 KMT2A (0.38) SMN1; SMN2RAB9ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103044331-B Prepare the new method of the formamide of 3 n-propyl pyrazoles of silaenafil intermediate 4 amino, 1 methyl 5 常州市亚邦医药研究所有限公司 2017-09-15 CN claimed
CN-103044331-A Novel method for preparing Sildenafil intermediate 4-amino-1-methyl-3-n-propyl-pyrazole-5-formamide CHANGZHOU YABANG PHARMACEUTICAL INST CO LTD 2013-04-17 CN claimed
US-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed
CN-103044331-B Prepare the new method of the formamide of 3 n-propyl pyrazoles of silaenafil intermediate 4 amino, 1 methyl 5 常州市亚邦医药研究所有限公司 2017-09-15 CN disclosed
CN-103044331-A Novel method for preparing Sildenafil intermediate 4-amino-1-methyl-3-n-propyl-pyrazole-5-formamide CHANGZHOU YABANG PHARMACEUTICAL INST CO LTD 2013-04-17 CN 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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 SMN1; SMN2 4099/4885RAB9A 2496/4885NPC1 1636/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 SMN1; SMN2 4139/4885RAB9A 2157/4885NPC1 1619/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 SMN1; SMN2 4202/4885RAB9A 2378/4885NPC1 2019/4885

“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.