SCHEMBL7239771

SCHEMBL7239771

CNc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 1.00
▸ RAB9A P51151 6/20 0.68
▸ NPC1 O15118 5/20 0.68
▸ MAOA P21397 10/20 0.66
▸ MAOB P27338 10/20 0.66
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ KDM4E B2RXH2 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ PTGES O14684 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ VCP P55072 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ NFKB1 P19838 1/20 0.61
▸ GFER P55789 1/20 0.61

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
SCHEMBL19360670 0.81 NPC1 (0.70) ARRAB9ANPC1MEN1KMT2A
SCHEMBL259707 0.81 RAB9A (0.69) ARRAB9ANPC1MEN1KMT2A
SCHEMBL12297207 0.80 RAB9A (0.68) ARRAB9ANPC1MAOAMAOB
SCHEMBL30581066 0.79 RAB9A (0.78) ARRAB9ANPC1MAOAMAOB
SCHEMBL12298047 0.79 MEN1 (0.70) ARRAB9ANPC1MAOAMAOB
SCHEMBL18769550 0.79 AR (0.63) ARRAB9ANPC1MAOAMAOB
SCHEMBL12647916 0.78 NPC1 (0.67) ARRAB9ANPC1MAOAMAOB
SCHEMBL30660072 0.78 RAB9A (0.67) ARRAB9ANPC1MAOAMAOB
SCHEMBL3608900 0.78 RAB9A (0.67) ARRAB9ANPC1MAOAMAOB
SCHEMBL1853507 0.78 AR (0.63) ARRAB9ANPC1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 — — US disclosed
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 — — US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 — — US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 — — US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 — — US disclosed
US-7442554-B2 Compositions and methods involving glucocorticoid receptor site II BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-28 — — US disclosed
WO-2007062222-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2007-05-31 — — WO disclosed
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 — — 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 (2 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-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 AR 1127/4885RAB9A 3964/4885NPC1 2716/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS AR 756/4885RAB9A 530/4885NPC1 4461/4885

“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