SCHEMBL15723910

SCHEMBL15723910

Cc1nnc(-c2cccc(-c3cccnc3C(C)C)c2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
CECR2 Q9BXF3 1/20 0.40
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
CHEK1 O14757 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CDK2 P24941 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CACNA2D1 P54289 3/20 0.39
BRD4 O60885 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL15730621 0.86 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL17841129 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL15723895 0.77 BCHE (0.44) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL11964433 0.77 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL8226565 0.76 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL9341650 0.74 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL15723925 0.73 MAP4K4 (0.50) PIM1CDK2NOTUMTP53ACHE
SCHEMBL18852466 0.72 CLK4 (0.57) NOTUMHSD17B10
SCHEMBL12974 0.72 HPGD (0.73) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL15723914 0.71 PTPN5 (0.40) ALDH1A1GAA

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-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN NPC1 2/4885RAB9A 357/4885SMN1; SMN2 3500/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN NPC1 2/4885RAB9A 357/4885SMN1; SMN2 3500/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NPC1 2/4885RAB9A 357/4885SMN1; SMN2 3500/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NPC1 2/4885RAB9A 357/4885SMN1; SMN2 3500/4885

“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.