SCHEMBL17110620

SCHEMBL17110620

Fc1ccccc1Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
RAB9A P51151 8/20 0.54
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.50
AURKA O14965 1/20 0.50
RAD52 P43351 1/20 0.49
MAPK10 P53779 1/20 0.48
MAPK8 P45983 1/20 0.46
PTK2 Q05397 1/20 0.45
CDK4 P11802 1/20 0.45
CDK2 P24941 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
C1R P00736 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1924616 0.90 AURKA (0.64) POLBRAB9ANPC1AURKAMAPK8
SCHEMBL13395042 0.86 TSHR (0.67) POLBRAB9ANPC1SMN1; SMN2AURKA
SCHEMBL1924121 0.85 KCNH3 (0.59) POLBRAB9ANPC1SMN1; SMN2MAPK10
SCHEMBL17110566 0.85 KCNH3 (0.59) POLBRAB9ANPC1SMN1; SMN2MAPK10
SCHEMBL23557789 0.85 POLB (0.46) POLBRAB9ANPC1SMN1; SMN2AURKA
SCHEMBL3951907 0.82 AURKA (0.56) POLBRAB9ANPC1AURKAMAPK10
SCHEMBL396120 0.82 CXCL8 (0.55) RAB9ANPC1SMN1; SMN2AURKAMAPK10
SCHEMBL29793294 0.82 CXCL8 (0.55) RAB9ANPC1SMN1; SMN2AURKAMAPK10
SCHEMBL4544816 0.80 NFKB1 (0.56) POLBRAB9ANPC1SMN1; SMN2AURKA
SCHEMBL17110632 0.79 KCNH3 (0.51) POLBRAB9ANPC1SMN1; SMN2MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-04-13 US disclosed
EP-3122736-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-01 EP disclosed
WO-2015144881-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-01 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 (1 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-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES DRD3, CBR3, ATL3 POLB 3209/4885RAB9A 1981/4885NPC1 3727/4885

“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.