SCHEMBL5414860

SCHEMBL5414860

c1nc2cc(NC3CCNCC3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.48
▸ HTR6 P50406 14/20 0.42
▸ ITK Q08881 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ ULK1 O75385 1/20 0.39
▸ ULK2 Q8IYT8 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PARP14 Q460N5 1/20 0.39
▸ HTR2B P41595 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
SCHEMBL4672882 0.79 IP6K1 (0.38) IP6K1EPHX1ULK1ULK2
SCHEMBL29776580 0.78 ULK1 (0.57) HTR6EPHX1ULK1HTR2B
SCHEMBL29311811 0.77 IP6K1 (0.41) IP6K1EPHX1ULK1ULK2
SCHEMBL24821374 0.76 IP6K1 (0.60) IP6K1EPHX1ULK1ULK2MAPK1
SCHEMBL5418874 0.75 ROCK2 (0.63) ITKPARP14
SCHEMBL29776618 0.74 QDPR (0.47) —
SCHEMBL4869511 0.73 IP6K1 (0.57) IP6K1HTR6PARP14
Hydrochloric Acid SCHEMBL2356274 0.73 NPC1 (0.60) EPHX1
SCHEMBL1082254 0.73 NPC1 (0.49) ITKEPHX1ULK1
Hydrochloric Acid SCHEMBL29396583 0.73 QDPR (0.46) —

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 — — US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 — — EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA IP6K1 600/4885HTR6 4231/4885ITK 1422/4885

“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.

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