SCHEMBL3148726

SCHEMBL3148726

c1ccc2c(c1)ncn2-c1c[nH]nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HTT P42858 2/20 0.51
ROCK1 Q13464 1/20 0.49
FGFR1 P11362 4/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL31241183 0.78 POLB (0.67) POLBHTTROCK1FGFR1MAPT
SCHEMBL3396580 0.75 POLB (0.57) POLBHTTROCK1FGFR1MAPT
SCHEMBL2147667 0.73 POLB (0.70) POLBHTTROCK1FGFR1MKNK1
SCHEMBL31722849 0.73 POLB (0.70) POLBHTTROCK1FGFR1MKNK1
SCHEMBL3873515 0.72 RAB9A (0.57) POLBMAPTRAB9AMAPK1ALDH1A1
SCHEMBL29744972 0.72 POLB (1.00) POLBHTTROCK1FGFR1MAPT
SCHEMBL1346814 0.72 POLB (1.00) POLBHTTROCK1FGFR1MAPT
SCHEMBL6594548 0.71 CDC7 (0.47) ROCK1MAPTALDH1A1MKNK1MKNK2
SCHEMBL9338772 0.70 POLB (0.96) POLBHTTROCK1FGFR1MAPT
SCHEMBL3417306 0.70 HTT (0.73) POLBHTTROCK1FGFR1ALDH1A1

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-7687500-B2 Substituted oxetanes, method of making, and method of use thereof THE UNIVERSITY OF CONNECTICUT (US) 2010-03-30 US disclosed
US-20080139566-A1 SUBSTITUTED OXETANES, METHOD OF MAKING, AND METHOD OF USE THEREOF HOWELL AMY R 2008-06-12 US disclosed
US-7351827-B2 Substituted oxetanes, method of making, and method of use thereof THE UNIVERSITY OF CONNECTICUT (US) 2008-04-01 US disclosed
EP-1685127-A1 HETEROCYCLYL-SUBSTITUTED OXETANES FOR THE TREATMENT OF PROLIFERATIVE OR INFECTIOUS DISEASES The University of Connecticut (US) 2006-08-02 EP disclosed
US-20050215568-A1 Substituted oxetanes, method of making, and method of use thereof UNIVERSITY OF CONNECTICUT, THE 2005-09-29 US disclosed
WO-2005051944-A1 HETEROCYCLYL-SUBSTITUTED OXETANES FOR THE TREATMENT OF PROLIFERATIVE OR INFECTIOUS DISEASES UNIVERSITY OF CONNECTICUT (US) 2005-06-09 WO disclosed
EP-0674642-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994013677-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 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 (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-20080139566-A1 SUBSTITUTED OXETANES, METHOD OF MAKING, AND METHOD OF USE THEREOF PNP, TYMP, DHPS POLB 532/4885HTT 4033/4885ROCK1 1231/4885
US-20050215568-A1 Substituted oxetanes, method of making, and method of use thereof PNP, TYMP, DHPS POLB 532/4885HTT 4033/4885ROCK1 1231/4885

“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.