SCHEMBL1781337

SCHEMBL1781337

CN1CCC(NC(=O)c2cc(F)c(N)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.49
HPGD P15428 1/20 0.47
DYRK1A Q13627 6/20 0.46
WNT1 P04628 4/20 0.46
RIPK2 O43353 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP30 Q70CQ3 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
TAF1 P21675 1/20 0.43
CECR2 Q9BXF3 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3936908 0.92 USP30 (0.47) ACKR3HPGDHRH3USP30PIK3CA
SCHEMBL3540628 0.92 USP30 (0.47) ACKR3HPGDHRH3USP30PIK3CA
SCHEMBL3540611 0.88 HTR4 (0.55)
SCHEMBL1163804 0.86 KDM4E (0.51) DYRK1AALDH1A1
SCHEMBL3546444 0.86 HTR4 (0.57) HPGD
SCHEMBL1781864 0.84 ACKR3 (0.55) ACKR3DYRK1AWNT1HRH3PIK3CA
SCHEMBL3544454 0.83 HTR7 (0.48) ACKR3HRH3PIK3CAMTOR
SCHEMBL13575482 0.82 KDM1A (0.51) HPGDDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL3936693 0.81 HTR4 (0.51)
SCHEMBL3552993 0.81 HTR4 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 ACKR3 4128/4885HPGD 4223/4885DYRK1A 131/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 ACKR3 2084/4885HPGD 307/4885DYRK1A 4821/4885

“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.