SCHEMBL15717869

SCHEMBL15717869

CNc1nnc(-c2ccc(-c3cnn4ccc(N(C)C(=O)c5ccc(F)cc5)cc34)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
HDAC1 Q13547 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MLNR O43193 3/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL17289539 0.96 RET (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19996175 0.87 S1PR1 (0.37) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL15764707 0.82 MLNR (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL15717718 0.82 RET (0.43) ALDH1A1MLNRCYP1A2CYP3A4TSHR
SCHEMBL15717246 0.81 MCHR1 (0.40) ALDH1A1MLNRCYP1A2CYP3A4TSHR
SCHEMBL15718260 0.76 RPS6KA3 (0.40) ALDH1A1KMT2AMLNRCYP1A2CYP3A4
SCHEMBL15718316 0.76 ITK (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL17309060 0.74 MAPK14 (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL15717624 0.74 RET (0.43) ALDH1A1MLNRCYP1A2CYP3A4TSHR
SCHEMBL17309067 0.73 MLNR (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2019-01-31 US claimed
EP-3405468-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS Novartis AG (CH) 2018-11-28 EP claimed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP claimed
WO-2017125898-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2017-07-27 WO claimed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US claimed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US claimed
EP-2925757-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES Novartis AG (CH) 2015-10-07 EP claimed
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-01-08 US claimed
US-8871754-B2 Compounds and compositions for the treatment of parasitic diseases IRM LLC (BM) 2014-10-28 US claimed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US claimed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO claimed
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2019-01-31 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US disclosed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US disclosed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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 (4 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-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 NPC1 145/4885RAB9A 2000/4885SMN1; SMN2 1576/4885
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 NPC1 145/4885RAB9A 2000/4885SMN1; SMN2 1576/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 NPC1 145/4885RAB9A 2000/4885SMN1; SMN2 1576/4885
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS PI4KA, PI4K2A, PIP4K2A NPC1 2153/4885RAB9A 2735/4885SMN1; SMN2 3095/4885

“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.